Ethanol → HCID 178522045, compound
Reaction equation
[CH3:44][CH2:45][OH:46].[Cl:19][c:20]1[cH:21][c:22]([N:26]=[C:27]=[O:28])[cH:23][cH:24][cH:25]1.[NH2:1][c:2]1[n:3][nH:4][c:5]2[n:6][cH:7][n:8][c:9]([NH:11][c:12]3[cH:13][c:14]([Cl:18])[cH:15][cH:16][cH:17]3)[c:10]12.[O:38]1[CH2:39][CH2:40][O:41][CH2:42][CH2:43]1.[nH:29]1[c:30]2[cH:31][n:32][cH:33][n:34][c:35]2[cH:36][n:37]1>>[NH:1]([c:2]1[n:3][nH:4][c:5]2[n:6][cH:7][n:8][c:9]([NH:11][c:12]3[cH:13][c:14]([Cl:18])[cH:15][cH:16][cH:17]3)[c:10]12)[C:27]([NH:26][c:22]1[cH:21][c:20]([Cl:19])[cH:25][cH:24][cH:23]1)=[O:28]Participants
6
Sources & evidence
- ORD record
- ord-63ae1674896d4b27b331d2002280ef61
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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