Benzenemethanamine, 3-chloro- → HCID 178452779, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]1[CH2:9][CH2:10][CH:11]([NH:14][c:15]2[n:16][cH:17][c:18]3[c:19]([n:20]2)[nH:21][n:22][c:23]3-[c:24]2[n:25][c:26]([S:30]([CH3:31])=[O:32])[n:27][cH:28][cH:29]2)[CH2:12][CH2:13]1)=[O:33].[Cl:34][c:35]1[cH:36][c:37]([CH2:38][NH2:39])[cH:40][cH:41][cH:42]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]1[CH2:9][CH2:10][CH:11]([NH:14][c:15]2[n:16][cH:17][c:18]3[c:19]([n:20]2)[nH:21][n:22][c:23]3-[c:24]2[n:25][c:26]([NH:39][CH2:38][c:37]3[cH:36][c:35]([Cl:34])[cH:42][cH:41][cH:40]3)[n:27][cH:28][cH:29]2)[CH2:12][CH2:13]1)=[O:33]Participants
3
Sources & evidence
- ORD record
- ord-f6c053ec15f3418f98dca91e8f0a1eda
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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