Ethanol → HCID 54056735, compound
Reaction equation
[CH3:40][CH2:41][OH:42].[NH2:27][c:28]1[c:29]([C:34]([CH3:35])=[O:36])[cH:30][cH:31][cH:32][cH:33]1.[Na+:38].[OH-:37].[OH2:39].[c:1]1([C:7]([n:8]2[c:9]([CH:13]=[O:14])[n:10][cH:11][cH:12]2)([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([C:7]([n:8]2[c:9]([CH:13]=[CH:35][C:34]([c:29]3[c:28]([NH2:27])[cH:33][cH:32][cH:31][cH:30]3)=[O:36])[n:10][cH:11][cH:12]2)([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
7
Sources & evidence
- ORD record
- ord-60418e271b4245eab79a1c9f3cf139f7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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