Ethanol → HCID 68458511, compound
Reaction equation
[CH3:41][CH2:42][OH:43].[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:30][c:31]2[cH:32][cH:33][c:34]([NH:37][C:38]([CH3:39])=[O:40])[cH:35][cH:36]2)[cH:16][cH:17][c:18]([O:20][CH2:21][c:22]2[cH:23][cH:24][c:25]([C:28]#[N:29])[cH:26][cH:27]2)[cH:19]1>>[c:2]1([NH:13][c:14]2[c:15]([S:30][c:31]3[cH:32][cH:33][c:34]([NH:37][C:38]([CH3:39])=[O:40])[cH:35][cH:36]3)[cH:16][cH:17][c:18]([O:20][CH2:21][c:22]3[cH:23][cH:24][c:25]([C:28]#[N:29])[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-352691fee83b4999a2a8759cd60f60ad
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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