Ethanol → HCID 11234251, compound
Reaction equation
[CH3:30][CH2:31][OH:32].[Cl:1][c:2]1[n:3][cH:4][c:5]([CH3:21])[c:6]2[nH:7][c:8]3[cH:9][cH:10][c:11]4[c:12]([c:13]3[c:14]12)[cH:15][cH:16][c:17]([O:19][CH3:20])[cH:18]4.[Cl:41][CH2:42][Cl:43].[NH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][NH2:29].[OH:33][C:34]([CH:35]=[CH:36][C:37](=[O:38])[OH:39])=[O:40]>>[c:2]1([NH:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][NH2:29])[n:3][cH:4][c:5]([CH3:21])[c:6]2[nH:7][c:8]3[cH:9][cH:10][c:11]4[c:12]([c:13]3[c:14]12)[cH:15][cH:16][c:17]([O:19][CH3:20])[cH:18]4Participants
6
Sources & evidence
- ORD record
- ord-7c41516bda4745c99bb7169cbe12a8a4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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