Reaction equation
[CH3:51][N:52]([c:53]1[cH:54][cH:55][n:56][cH:57][cH:58]1)[CH3:59].[CH:36]1([N:37]=[C:38]=[N:39][CH:40]2[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]2)[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]1.[Cl:60][CH2:61][Cl:62].[c:1]1([CH3:19])[cH:2][cH:3][c:4]([S:7](=[O:8])(=[O:9])[N:10]2[CH:11]([C:16](=[O:17])[OH:18])[CH2:12][S:13][CH2:14][CH2:15]2)[cH:5][cH:6]1.[c:20]1([CH:26]([CH2:27][CH2:28][c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[OH:35])[cH:21][cH:22][cH:23][cH:24][cH:25]1>>[c:1]1([CH3:19])[cH:2][cH:3][c:4]([S:7](=[O:8])(=[O:9])[N:10]2[CH:11]([C:16]([O:17][CH:26]([c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[CH2:27][CH2:28][c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)=[O:18])[CH2:12][S:13][CH2:14][CH2:15]2)[cH:5][cH:6]1Participants
6
Sources & evidence
- ORD record
- ord-49e593c316044a098a2cf17cce46c4e5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Linked notes
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