4-Bromobenzylamine → HCID 67040315, compound
Reaction equation
[Br:39][c:40]1[cH:41][cH:42][c:43]([CH2:44][NH2:45])[cH:46][cH:47]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[cH:10][cH:11][c:12]([S:15][c:16]2[c:17]([NH:25][c:26]3[c:27]4[c:28]([n:29][cH:30][n:31]3)[n:32][c:33]([CH:36]([CH3:37])[CH3:38])[cH:34][cH:35]4)[cH:18][c:19]([C:20](=[O:21])[OH:22])[cH:23][cH:24]2)[cH:13][cH:14]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[cH:10][cH:11][c:12]([S:15][c:16]2[c:17]([NH:25][c:26]3[c:27]4[c:28]([n:29][cH:30][n:31]3)[n:32][c:33]([CH:36]([CH3:37])[CH3:38])[cH:34][cH:35]4)[cH:18][c:19]([C:20](=[O:21])[NH:45][CH2:44][c:43]3[cH:42][cH:41][c:40]([Br:39])[cH:47][cH:46]3)[cH:23][cH:24]2)[cH:13][cH:14]1Participants
3
Sources & evidence
- ORD record
- ord-1b4bdb6f2bc34a458a6c64e67c3d7e39
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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