Benzene → HCID 54081769, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH:7]([CH2:8][C:9]1([C:14]([NH:15][CH:16]2[CH2:17][CH2:18][CH:19]([C:22](=[O:23])[O:24][CH2:25][CH3:26])[CH2:20][CH2:21]2)=[O:27])[CH2:10][CH2:11][CH2:12][CH2:13]1)[NH2:28])=[O:29].[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[Cl:48][CH2:49][Cl:50].[S:37](=[O:38])(=[O:39])([Cl:40])[Cl:41].[cH:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH:7]([CH2:8][C:9]1([C:14]([NH:15][CH:16]2[CH2:17][CH2:18][CH:19]([C:22](=[O:23])[O:24][CH2:25][CH3:26])[CH2:20][CH2:21]2)=[O:27])[CH2:10][CH2:11][CH2:12][CH2:13]1)[NH:28][S:37](=[O:38])(=[O:39])[c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1)=[O:29]Participants
6
Sources & evidence
- ORD record
- ord-6972cc1fc95c4befa9d38458f065f8e1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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