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Dataset #446

[C:15]1([CH3:22])[CH:16]=[CH:17][CH:18]=[C:19]([CH:1]=[O:2])[C:20]=1[CH3:3]
Reaction #1951011
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:13]([O:1][C:10]1[CH:9]=[CH:8][C:5]([CH:6]=[O:7])=[CH:4][CH:11]=1)[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH3:27]
Reaction #1951012
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:1]([O:16][C:17]1[CH:24]=[CH:23][C:20]([CH:21]=[CH:39][C:36]2[CH:35]=[CH:34][C:33]([CH:32]=[CH:21][C:20]3[CH:23]=[CH:24][C:17]([O:16][CH2:1][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][CH3:15])=[CH:18][CH:19]=3)=[CH:38][CH:37]=2)=[CH:19][CH:18]=1)[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][CH3:15]
Reaction #1951013
Yield 92.9%DOI: 10.6084/m9.figshare.5104873.v1
[O:20]=[C:21]([O-:32])[C@@H:22]([C@H:24]([C@@H:26]([C@@H:28]([CH2:30][OH:31])[OH:29])[OH:27])[OH:25])[OH:23]
Reaction #1951014
Yield 0.5%DOI: 10.6084/m9.figshare.5104873.v1
[S:23]([O-:27])([O-:26])(=[O:25])=[O:24]
Reaction #1951015
DOI: 10.6084/m9.figshare.5104873.v1
[C:22]([CH:13]1[CH2:18][CH2:17][CH2:16][CH2:15][CH:14]1[C:19]([OH:1])=[O:20])([OH:21])=[O:23]
Reaction #1951016
Yield 806.5%DOI: 10.6084/m9.figshare.5104873.v1
[CH2:8]([O:27][C:26](=[O:28])[CH:24]([NH2:25])[CH2:23][C:22]1[CH:29]=[CH:30][C:19]([O:18][CH2:15][C:16]#[CH:17])=[CH:20][CH:21]=1)[C:4]#[CH:5]
Reaction #1951017
DOI: 10.6084/m9.figshare.5104873.v1
[Cl:13][C:7]1[CH:8]=[C:9]2[C:4](=[CH:5][C:6]=1[Cl:14])[N:3]([C@@H:15]1[O:21][C@H:20]([CH2:22][OH:23])[C@@H:18]([OH:19])[C@H:16]1[OH:17])[C:2]([NH:35][CH3:33])=[C:10]2[CH:11]=[O:12]
Reaction #1951018
Yield 43.0%DOI: 10.6084/m9.figshare.5104873.v1
[Cl:13][C:7]1[CH:8]=[C:9]2[C:4](=[CH:5][C:6]=1[Cl:14])[N:3]([C@@H:15]1[O:21][C@H:20]([CH2:22][OH:23])[C@@H:18]([OH:19])[C@H:16]1[OH:17])[C:2]([NH:3][CH:4]([CH3:9])[CH3:5])=[C:10]2[CH:11]=[O:12]
Reaction #1951019
Yield 83.8%DOI: 10.6084/m9.figshare.5104873.v1
[Cl:13][C:7]1[CH:8]=[C:9]2[C:4](=[CH:5][C:6]=1[Cl:14])[N:3]([C@@H:15]1[O:21][C@H:20]([CH2:22][OH:23])[C@@H:18]([OH:19])[C@H:16]1[OH:17])[C:2]([O:28][CH3:27])=[C:10]2[CH:11]=[O:12]
Reaction #1951020
Yield 42.0%DOI: 10.6084/m9.figshare.5104873.v1
[Cl:13][C:7]1[CH:8]=[C:9]2[C:4](=[CH:5][C:6]=1[Cl:14])[N:3]([C@@H:15]1[O:21][C@H:20]([CH2:22][OH:23])[C@@H:18]([OH:19])[C@H:16]1[OH:17])[C:2]([O:25][CH3:24])=[C:10]2[C:11]#[N:12]
Reaction #1951021
Yield 67.5%DOI: 10.6084/m9.figshare.5104873.v1
[Cl:1][CH:2]1[C:10](=[C:11]=[N:27][OH:25])[C:9]2[C:4](=[CH:5][C:6]([Cl:14])=[C:7]([Cl:13])[CH:8]=2)[N:3]1[C@@H:15]1[O:21][C@H:20]([CH2:22][OH:23])[C@@H:18]([OH:19])[C@H:16]1[OH:17]
Reaction #1951022
Yield 70.0%DOI: 10.6084/m9.figshare.5104873.v1
[Cl:1][CH:2]1[C:10](=[C:11]=[N:27][O:25][CH3:26])[C:9]2[C:4](=[CH:5][C:6]([Cl:14])=[C:7]([Cl:13])[CH:8]=2)[N:3]1[C@@H:15]1[O:21][C@H:20]([CH2:22][OH:23])[C@@H:18]([OH:19])[C@H:16]1[OH:17]
Reaction #1951023
Yield 41.0%DOI: 10.6084/m9.figshare.5104873.v1
[Cl:1][CH:2]1[C:10](=[C:11]=[N:25][NH:24][C:26]([O:28][CH3:29])=[O:27])[C:9]2[C:4](=[CH:5][C:6]([Cl:14])=[C:7]([Cl:13])[CH:8]=2)[N:3]1[C@@H:15]1[O:21][C@H:20]([CH2:22][OH:23])[C@@H:18]([OH:19])[C@H:16]1[OH:17]
Reaction #1951024
Yield 85.0%DOI: 10.6084/m9.figshare.5104873.v1
[Cl:1][CH:2]1[C:10](=[C:11]=[N:28][NH:27][C:25](=[O:26])[CH3:24])[C:9]2[C:4](=[CH:5][C:6]([Cl:14])=[C:7]([Cl:13])[CH:8]=2)[N:3]1[C@@H:15]1[O:21][C@H:20]([CH2:22][OH:23])[C@@H:18]([OH:19])[C@H:16]1[OH:17]
Reaction #1951025
Yield 56.0%DOI: 10.6084/m9.figshare.5104873.v1
[Cl:1][C:2]1[N:3]([C@@H:15]2[O:21][C@H:20]([CH2:22][OH:23])[C@@H:18]([OH:19])[C@H:16]2[OH:17])[C:4]2[C:9]([C:10]=1[C:11](=[N:30][OH:31])[NH2:12])=[CH:8][C:7]([Cl:13])=[C:6]([Cl:14])[CH:5]=2
Reaction #1951026
Yield 70.4%DOI: 10.6084/m9.figshare.5104873.v1
[Cl:1][C:2]1[N:3]([C@@H:15]2[O:21][C@H:20]([CH2:22][OH:23])[C@@H:18]([OH:19])[C@H:16]2[OH:17])[C:4]2[C:9]([C:10]=1[C:11](=[NH:12])[O:25][CH3:24])=[CH:8][C:7]([Cl:13])=[C:6]([Cl:14])[CH:5]=2
Reaction #1951027
Yield 58.0%DOI: 10.6084/m9.figshare.5104873.v1
[Cl:1][CH:2]1[C:10](=[C:11]=[N:27][N:25]([CH3:26])[CH3:24])[C:9]2[C:4](=[CH:5][C:6]([Cl:14])=[C:7]([Cl:13])[CH:8]=2)[N:3]1[C@@H:15]1[O:21][C@H:20]([CH2:22][OH:23])[C@@H:18]([OH:19])[C@H:16]1[OH:17]
Reaction #1951028
Yield 78.0%DOI: 10.6084/m9.figshare.5104873.v1
[Cl:13][C:7]1[CH:8]=[C:9]2[C:4](=[CH:5][C:6]=1[Cl:14])[N:3]([C@@H:15]1[O:21][C@H:20]([CH2:22][OH:23])[C@@H:18]([OH:19])[C@H:16]1[OH:17])[C:2]1[N:25]([CH3:24])[N:26]=[CH:11][C:10]2=1
Reaction #1951029
Yield 33.0%DOI: 10.6084/m9.figshare.5104873.v1
[Cl:13][C:7]1[CH:8]=[C:9]2[C:4](=[CH:5][C:6]=1[Cl:14])[N:3]([C@@H:15]1[O:21][C@H:20]([CH2:22][OH:23])[C@@H:18]([OH:19])[C@H:16]1[OH:24])[C:2]1[NH:25][N:26]=[C:11]([NH2:12])[C:10]2=1
Reaction #1951030
Yield 90.0%DOI: 10.6084/m9.figshare.5104873.v1
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