Ethanol → HCID 68455937, compound
Reaction equation
[CH3:42][CH2:43][OH:44].[Cl:1][c:2]1[c:3]2[cH:4][cH:5][c:6]([CH2:12][CH2:13][CH3:14])[n:7][c:8]2[n:9][cH:10][cH:11]1.[NH2:15][c:16]1[c:17]([S:31][c:32]2[cH:33][cH:34][c:35]([NH:38][C:39]([CH3:40])=[O:41])[cH:36][cH:37]2)[cH:18][cH:19][c:20]([O:22][CH2:23][c:24]2[c:25]([Br:30])[cH:26][cH:27][cH:28][cH:29]2)[cH:21]1>>[c:2]1([NH:15][c:16]2[c:17]([S:31][c:32]3[cH:33][cH:34][c:35]([NH:38][C:39]([CH3:40])=[O:41])[cH:36][cH:37]3)[cH:18][cH:19][c:20]([O:22][CH2:23][c:24]3[c:25]([Br:30])[cH:26][cH:27][cH:28][cH:29]3)[cH:21]2)[c:3]2[cH:4][cH:5][c:6]([CH2:12][CH2:13][CH3:14])[n:7][c:8]2[n:9][cH:10][cH:11]1Participants
4
Sources & evidence
- ORD record
- ord-5f21aaf162584510bbaf2cd3cf073934
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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