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Dataset #478

[CH3:13][O:12][N:9]1[CH2:10][CH2:11][C:6]2([O:5][C:4](=[O:14])[C:3]([C:15]3[C:20]([CH3:21])=[CH:19][C:18]([CH3:22])=[CH:17][C:16]=3[CH3:23])=[C:2]2[O:1][C:32](=[O:33])[O:34][CH2:35][CH3:36])[CH2:7][CH2:8]1
Reaction #2122486
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:3][O:4][N:5]1[CH2:10][CH2:9][CH:8]([OH:11])[CH2:7][CH2:6]1
Reaction #2122487
Yield 89.8%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][O:2][N:3]1[CH2:8][CH2:7][CH:6]([O:9][S:18]([CH3:17])(=[O:20])=[O:19])[CH2:5][CH2:4]1
Reaction #2122488
Yield 126.3%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][O:2][N:3]1[CH2:8][CH2:7][CH:6]([C:14]#[N:15])[CH2:5][CH2:4]1
Reaction #2122489
Yield 86.6%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][O:2][N:3]1[CH2:8][CH2:7][C:6]([S:12][CH2:13][C:14]2[CH:19]=[CH:18][C:17]([O:20][CH3:21])=[CH:16][CH:15]=2)([C:9]([Cl:24])=[O:10])[CH2:5][CH2:4]1
Reaction #2122490
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:6][O:7][C:8](=[O:19])[CH:9]([C:10]1[C:11]([CH3:18])=[CH:12][C:13]([CH3:17])=[CH:14][C:15]=1[CH3:16])[C:28]([C:25]1([S:31][CH2:32][C:33]2[CH:34]=[CH:35][C:36]([O:39][CH3:40])=[CH:37][CH:38]=2)[CH2:24][CH2:23][N:22]([O:21][CH3:20])[CH2:27][CH2:26]1)=[O:29]
Reaction #2122491
DOI: 10.6084/m9.figshare.5104873.v1
[OH:6][C:5]1[C:7]2([CH2:8][CH2:9][N:10]([O:13][CH3:14])[CH2:11][CH2:12]2)[S:15][C:3](=[O:2])[C:4]=1[C:25]1[C:30]([CH3:31])=[CH:29][C:28]([CH3:32])=[CH:27][C:26]=1[CH3:33]
Reaction #2122492
Yield 48.3%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:13][O:12][N:9]1[CH2:10][CH2:11][C:6]2([S:5][C:4](=[O:14])[C:3]([C:15]3[C:20]([CH3:21])=[CH:19][C:18]([CH3:22])=[CH:17][C:16]=3[CH3:23])=[C:2]2[O:1][C:32](=[O:33])[O:34][CH2:35][CH3:36])[CH2:7][CH2:8]1
Reaction #2122493
Yield 29.7%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][O:3][C:14]([C:6]1([OH:5])[CH2:11][CH2:10][N:9]([O:12][CH3:13])[CH2:8][CH2:7]1)=[O:17]
Reaction #2122494
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:6]([O:8][N:9]1[CH2:14][CH2:13][C:12]([OH:15])([C:16]#[N:17])[CH2:11][CH2:10]1)[CH3:7]
Reaction #2122495
DOI: 10.6084/m9.figshare.5104873.v1
[CH:32]1[C:31]([CH2:30][CH2:29][CH2:39][OH:41])=[CH:36][C:35]([OH:37])=[C:34]([OH:38])[CH:33]=1
Reaction #2122496
DOI: 10.6084/m9.figshare.5104873.v1
[CH:10]12[CH2:15][CH:13]([CH:12]=[CH:11]1)[CH2:14][CH:9]2[CH2:8][O:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][P:19](=[O:23])([O:20][CH2:21][CH3:22])[O:18][CH2:16][CH3:17]
Reaction #2122497
DOI: 10.6084/m9.figshare.5104873.v1
[I:22][C:23]1[CH:28]=[CH:27][C:26]([O:21][CH2:20][CH:14]2[CH2:15][CH:16]3[CH2:19][CH:13]2[CH:18]=[CH:17]3)=[CH:25][CH:24]=1
Reaction #2122498
Yield 97.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH:11]12[CH2:16][CH:14]([CH:13]=[CH:12]1)[CH2:15][CH:10]2[CH2:9][O:8][C:5]1[CH:6]=[CH:7][C:2]([P:28]([C:33]2[CH:34]=[CH:35][CH:36]=[CH:37][CH:38]=2)[C:22]2[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=2)=[CH:3][CH:4]=1
Reaction #2122499
Yield 14.7%DOI: 10.6084/m9.figshare.5104873.v1
[OH:1][C:2]1[CH:3]=[CH:4][CH:5]=[C:6]2[C:11]=1[N:10]=[C:9]([C:31]([O-:33])=[O:32])[CH:8]=[CH:7]2
Reaction #2122500
Yield 57.0%DOI: 10.6084/m9.figshare.5104873.v1
[N:1]1[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[C:7]([O-:9])=[O:8]
Reaction #2122501
Yield 229.3%DOI: 10.6084/m9.figshare.5104873.v1
[N:1]1[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[C:7]([O-:9])=[O:8]
Reaction #2122502
DOI: 10.6084/m9.figshare.5104873.v1
[C:1]([O-:20])(=[O:19])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH3:18]
Reaction #2122503
DOI: 10.6084/m9.figshare.5104873.v1
[C:1]([O-:20])(=[O:19])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH3:18]
Reaction #2122504
DOI: 10.6084/m9.figshare.5104873.v1
[C:4]([OH:6])(=[O:5])[C:3]1[C:2](=[CH:10][CH:9]=[CH:8][CH:7]=1)[OH:1]
Reaction #2122505
Yield 83.6%DOI: 10.6084/m9.figshare.5104873.v1
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