Ethanol → HCID 22903536, compound
Reaction equation
[CH3:48][CH2:49][OH:50].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:43]1)[CH:7]([CH2:30][CH2:31][N:32]1[C:33](=[O:34])[c:35]3[cH:36][cH:37][cH:38][cH:39][c:40]3[C:41]1=[O:42])[CH2:8][CH2:9][CH2:10][N:11]2[C:12]([c:13]1[cH:14][n:15][c:16]([NH:19][C:20]([c:21]2[c:22]([Cl:27])[cH:23][cH:24][cH:25][cH:26]2)=[O:28])[cH:17][cH:18]1)=[O:29].[NH2:45][NH2:46].[OH2:44].[OH2:47]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:43]1)[CH:7]([CH2:30][CH2:31][NH2:32])[CH2:8][CH2:9][CH2:10][N:11]2[C:12]([c:13]1[cH:14][n:15][c:16]([NH:19][C:20]([c:21]2[c:22]([Cl:27])[cH:23][cH:24][cH:25][cH:26]2)=[O:28])[cH:17][cH:18]1)=[O:29]Participants
5
Sources & evidence
- ORD record
- ord-363c13fbda5945099c568eb08d5c2c8c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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