Ethanol → HCID 68461305, compound
Reaction equation
[CH3:42][CH2:43][OH:44].[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:31][c:32]2[cH:33][cH:34][c:35]([NH:38][C:39]([CH3:40])=[O:41])[cH:36][cH:37]2)[cH:16][cH:17][c:18]([O:20][CH2:21][c:22]2[cH:23][c:24]([N+:28](=[O:29])[O-:30])[cH:25][cH:26][cH:27]2)[cH:19]1>>[c:2]1([NH:13][c:14]2[c:15]([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:16][cH:17][c:18]([O:20][CH2:21][c:22]3[cH:23][c:24]([N+:28](=[O:29])[O-:30])[cH:25][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-08a6c185e05f492488b966927c55ddb4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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