Dataset #135

[F:11][C:8]1[CH:9]=[CH:10][C:5]([CH:2]([NH:1][C:13]([NH:12][C:15]2[CH:20]=[CH:19][C:18]([C:21]3[N:25]=[CH:24][N:23]([C:26]4[CH:31]=[CH:30][C:29]([C:32]([F:35])([F:33])[F:34])=[CH:28][CH:27]=4)[N:22]=3)=[CH:17][CH:16]=2)=[S:14])[CH2:3][OH:4])=[CH:6][CH:7]=1

Reaction #607417

Yield 99.0%DOI: 10.6084/m9.figshare.5104873.v1

[Cl:11][C:8]1[CH:9]=[CH:10][C:5]([CH:2]([NH:1][C:13]([NH:12][C:15]2[CH:20]=[CH:19][C:18]([C:21]3[N:25]=[CH:24][N:23]([C:26]4[CH:31]=[CH:30][C:29]([C:32]([F:35])([F:33])[F:34])=[CH:28][CH:27]=4)[N:22]=3)=[CH:17][CH:16]=2)=[S:14])[CH2:3][OH:4])=[CH:6][CH:7]=1

Reaction #607418

Yield 97.0%DOI: 10.6084/m9.figshare.5104873.v1

[Br:11][C:8]1[CH:9]=[CH:10][C:5]([CH:2]([NH:1][C:13]([NH:12][C:15]2[CH:20]=[CH:19][C:18]([C:21]3[N:25]=[CH:24][N:23]([C:26]4[CH:31]=[CH:30][C:29]([C:32]([F:35])([F:33])[F:34])=[CH:28][CH:27]=4)[N:22]=3)=[CH:17][CH:16]=2)=[S:14])[CH2:3][OH:4])=[CH:6][CH:7]=1

Reaction #607419

Yield 99.0%DOI: 10.6084/m9.figshare.5104873.v1

[OH:4][CH2:3][CH:2]([NH:1][C:16]([NH:15][C:18]1[CH:23]=[CH:22][C:21]([C:24]2[N:28]=[CH:27][N:26]([C:29]3[CH:34]=[CH:33][C:32]([C:35]([F:38])([F:36])[F:37])=[CH:31][CH:30]=3)[N:25]=2)=[CH:20][CH:19]=1)=[S:17])[C:5]1[CH:6]=[CH:7][C:8]([C:11]([F:12])([F:13])[F:14])=[CH:9][CH:10]=1

Reaction #607420

DOI: 10.6084/m9.figshare.5104873.v1

[OH:4][CH2:3][CH:2]([NH:1][C:17]([NH:16][C:19]1[CH:24]=[CH:23][C:22]([C:25]2[N:29]=[CH:28][N:27]([C:30]3[CH:35]=[CH:34][C:33]([C:36]([F:39])([F:37])[F:38])=[CH:32][CH:31]=3)[N:26]=2)=[CH:21][CH:20]=1)=[S:18])[C:5]1[CH:6]=[CH:7][C:8]([O:11][C:12]([F:13])([F:14])[F:15])=[CH:9][CH:10]=1

Reaction #607421

Yield 99.0%DOI: 10.6084/m9.figshare.5104873.v1

[Cl:11][C:7]1[CH:6]=[C:5]([CH:2]([NH:1][C:13]([NH:12][C:15]2[CH:20]=[CH:19][C:18]([C:21]3[N:25]=[CH:24][N:23]([C:26]4[CH:31]=[CH:30][C:29]([C:32]([F:35])([F:33])[F:34])=[CH:28][CH:27]=4)[N:22]=3)=[CH:17][CH:16]=2)=[S:14])[CH2:3][OH:4])[CH:10]=[CH:9][CH:8]=1

Reaction #607422

DOI: 10.6084/m9.figshare.5104873.v1

[Cl:11][C:6]1[CH:7]=[CH:8][CH:9]=[CH:10][C:5]=1[CH:2]([NH:1][C:13]([NH:12][C:15]1[CH:20]=[CH:19][C:18]([C:21]2[N:25]=[CH:24][N:23]([C:26]3[CH:31]=[CH:30][C:29]([C:32]([F:35])([F:33])[F:34])=[CH:28][CH:27]=3)[N:22]=2)=[CH:17][CH:16]=1)=[S:14])[CH2:3][OH:4]

Reaction #607423

DOI: 10.6084/m9.figshare.5104873.v1

[C:5]1([CH:2]2[CH2:3][O:4][C:12]([NH:11][C:14]3[CH:15]=[CH:16][C:17]([C:20]4[N:24]=[CH:23][N:22]([C:25]5[CH:30]=[CH:29][C:28]([O:31][C:32]([F:35])([F:33])[F:34])=[CH:27][CH:26]=5)[N:21]=4)=[CH:18][CH:19]=3)=[N:1]2)[CH:10]=[CH:9][CH:8]=[CH:7][CH:6]=1

Reaction #607424

Yield 30.0%DOI: 10.6084/m9.figshare.5104873.v1

[Cl:12][C:9]1[CH:8]=[CH:7][C:6]([CH:2]2[CH2:3][CH2:4][O:5][C:14]([NH:13][C:16]3[CH:17]=[CH:18][C:19]([C:22]4[N:26]=[CH:25][N:24]([C:27]5[CH:32]=[CH:31][C:30]([O:33][C:34]([F:37])([F:35])[F:36])=[CH:29][CH:28]=5)[N:23]=4)=[CH:20][CH:21]=3)=[N:1]2)=[CH:11][CH:10]=1

Reaction #607425

Yield 64.0%DOI: 10.6084/m9.figshare.5104873.v1

[C:9]1([CH3:12])[CH:8]=[CH:7][C:6]([CH:2]2[CH2:3][CH2:4][O:5][C:14]([NH:13][C:16]3[CH:17]=[CH:18][C:19]([C:22]4[N:26]=[CH:25][N:24]([C:27]5[CH:32]=[CH:31][C:30]([O:33][C:34]([F:37])([F:35])[F:36])=[CH:29][CH:28]=5)[N:23]=4)=[CH:20][CH:21]=3)=[N:1]2)=[CH:11][CH:10]=1

Reaction #607426

Yield 9.0%DOI: 10.6084/m9.figshare.5104873.v1

[F:40][C:37]([F:38])([F:39])[O:36][C:33]1[CH:32]=[CH:31][C:30]([N:27]2[CH:28]=[N:29][C:25]([C:22]3[CH:23]=[CH:24][C:19]([NH:16][C:17]4[O:5][CH2:4][CH2:3][CH:2]([C:6]5[CH:11]=[CH:10][C:9]([C:12]([F:13])([F:14])[F:15])=[CH:8][CH:7]=5)[N:1]=4)=[CH:20][CH:21]=3)=[N:26]2)=[CH:35][CH:34]=1

Reaction #607427

Yield 43.0%DOI: 10.6084/m9.figshare.5104873.v1

$[NH2:20][C:17]1[S:18][CH:19]=[C:15]([CH2:14][O:1]/[N:2]=[C:3](/[C:6]2[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=2)\[C:4]#[N:5])[N:16]=1$

Reaction #607428

Yield 80.0%DOI: 10.6084/m9.figshare.5104873.v1

$[NH2:1][C:2]1[S:3][CH:4]=[C:5]([CH2:7][O:8]/[N:9]=[C:10](/[C:16]2[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=2)\[C:11]2[N:12]([CH3:13])[O:14][C:30](=[O:31])[N:15]=2)[N:6]=1$

Reaction #607429

Yield 104.2%DOI: 10.6084/m9.figshare.5104873.v1

$[CH3:17][N:12]1[C:11](/[C:10](=[N:9]\[O:8][CH2:7][C:5]2[N:6]=[C:2]([NH:1][C:40]([CH:31]3[O:30][C:35]4[CH:36]=[CH:37][CH:38]=[CH:39][C:34]=4[O:33][CH2:32]3)=[O:41])[S:3][CH:4]=2)/[C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=2)=[N:15][C:14](=[O:16])[O:13]1$

Reaction #607430

Yield 106.4%DOI: 10.6084/m9.figshare.5104873.v1

$[Cl:30][C:31]1[CH:36]=[CH:35][C:34]([CH2:37][C:38]([NH:1][C:2]2[S:3][CH:4]=[C:5]([CH2:7][O:8]/[N:9]=[C:10](\[C:11]3[N:12]([CH3:17])[O:13][C:14](=[O:16])[N:15]=3)/[C:18]3[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=3)[N:6]=2)=[O:39])=[CH:33][CH:32]=1$

Reaction #607431

Yield 83.3%DOI: 10.6084/m9.figshare.5104873.v1

$[NH2:22][C:19]1[S:20][CH:21]=[C:17]([CH2:16][O:1]/[N:2]=[C:3](/[C:6]2[CH:11]=[CH:10][CH:9]=[C:8]([O:12][CH3:13])[CH:7]=2)\[C:4]#[N:5])[N:18]=1$

Reaction #607432

Yield 91.0%DOI: 10.6084/m9.figshare.5104873.v1

$[NH2:1][C:2]1[S:3][CH:4]=[C:5]([CH2:7][O:8]/[N:9]=[C:10](/[C:13]2[CH:18]=[CH:17][CH:33]=[C:32]([O:34][CH3:21])[CH:31]=2)\[C:11](=[NH:12])[N:29]([OH:30])[CH3:28])[N:6]=1$

Reaction #607433

Yield 69.0%DOI: 10.6084/m9.figshare.5104873.v1

[CH3:41][O:47][C:20]1[CH:19]=[C:18](/[C:10](=[N:9]/[O:8][CH2:7][C:5]2[N:6]=[C:2]([NH:1][C:32](=[O:34])[O:33][CH:36]3[CH2:48][CH2:40][CH2:39][CH2:38][CH2:37]3)[S:3][CH:4]=2)/[C:11]2[N:12]([CH3:17])[O:13][C:14](=[O:16])[N:15]=2)[CH:23]=[CH:22][CH:21]=1

Reaction #607434

Yield 77.0%DOI: 10.6084/m9.figshare.5104873.v1

$[Br:12][C:13]1[S:14][CH:15]=[C:16]([CH2:18][O:1]/[N:2]=[C:3](/[C:6]2[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=2)\[C:4]#[N:5])[N:17]=1$

Reaction #607435

Yield 88.0%DOI: 10.6084/m9.figshare.5104873.v1

$[Br:1][C:2]1[S:3][CH:4]=[C:5]([CH2:7][O:8]/[N:9]=[C:10](/[C:16]2[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=2)\[C:11]2[N:12]([CH3:13])[O:14][C:22](=[O:23])[N:15]=2)[N:6]=1$

Reaction #607436

Yield 103.9%DOI: 10.6084/m9.figshare.5104873.v1

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