Ethanol → HCID 68461204, compound
Reaction equation
[CH3:40][CH2:41][OH:42].[Cl:1][c:2]1[c:3]2[cH:4][cH:5][c:6]([CH3:12])[n:7][c:8]2[n:9][cH:10][cH:11]1.[NH2:13][c:14]1[c:15]([S:29][c:30]2[cH:31][cH:32][c:33]([NH:36][C:37]([CH3:38])=[O:39])[cH:34][cH:35]2)[cH:16][cH:17][c:18]([O:20][CH2:21][c:22]2[cH:23][cH:24][c:25]([Br:28])[cH:26][cH:27]2)[cH:19]1>>[c:2]1([NH:13][c:14]2[c:15]([S:29][c:30]3[cH:31][cH:32][c:33]([NH:36][C:37]([CH3:38])=[O:39])[cH:34][cH:35]3)[cH:16][cH:17][c:18]([O:20][CH2:21][c:22]3[cH:23][cH:24][c:25]([Br:28])[cH:26][cH:27]3)[cH:19]2)[c:3]2[cH:4][cH:5][c:6]([CH3:12])[n:7][c:8]2[n:9][cH:10][cH:11]1Participants
4
Sources & evidence
- ORD record
- ord-c64cf62f900b43caa582f6c74e34ef51
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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