Benzene → HCID 56617074, compound
Reaction equation
[C:28]([CH3:29])([CH3:30])([CH3:31])[c:32]1[cH:33][c:34]([CH:35]=[CH:36][C:37](=[O:38])[Cl:39])[cH:40][c:41]([C:44]([CH3:45])([CH3:46])[CH3:47])[c:42]1[OH:43].[ClH:1].[ClH:2].[N:3]1([CH2:9][CH2:10][c:11]2[cH:12][cH:13][c:14]([C:15](=[O:16])[O:17][CH2:18][CH3:19])[cH:20][cH:21]2)[CH2:4][CH2:5][NH:6][CH2:7][CH2:8]1.[cH:22]1[cH:23][cH:24][n:25][cH:26][cH:27]1.[cH:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1>>[N:3]1([CH2:9][CH2:10][c:11]2[cH:12][cH:13][c:14]([C:15](=[O:16])[O:17][CH2:18][CH3:19])[cH:20][cH:21]2)[CH2:4][CH2:5][N:6]([C:37]([CH:36]=[CH:35][c:34]2[cH:33][c:32]([C:28]([CH3:29])([CH3:30])[CH3:31])[c:42]([OH:43])[c:41]([C:44]([CH3:45])([CH3:46])[CH3:47])[cH:40]2)=[O:38])[CH2:7][CH2:8]1Participants
6
Sources & evidence
- ORD record
- ord-dc7ed721c2a1486a8cc929cd92f5c87a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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