Benzene → HCID 21428980, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][c:4]1[c:5]([C:6](=[O:7])[N:8]2[CH2:9][CH2:10]2)[cH:11][cH:12][cH:13][cH:14]1.[CH3:35][OH:36].[Cl:15][c:16]1[cH:17][cH:18][c:19]([C:22]2([OH:28])[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]2)[cH:20][cH:21]1.[O:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[cH:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1>>[CH2:1]([CH3:2])[O:3][c:4]1[c:5]([C:6](=[O:7])[NH:8][CH2:10][CH2:9][N:25]2[CH2:24][CH2:23][C:22]([c:19]3[cH:18][cH:17][c:16]([Cl:15])[cH:21][cH:20]3)([OH:28])[CH2:27][CH2:26]2)[cH:11][cH:12][cH:13][cH:14]1Participants
6
Sources & evidence
- ORD record
- ord-178b7d9d024949dd9746f0c82b869327
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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