Ethanol → HCID 178509832, compound

HRID 163642Notes

Reaction equation

HRID 163642 reaction equation
[CH3:43][CH2:44][OH:45].[NH2:41][NH2:42].[OH2:40].[c:1]1([NH:7][C:8]([c:9]2[cH:10][cH:11][c:12]([CH2:15][N:16]3[C:17](=[O:18])[c:19]4[cH:20][cH:21][cH:22][cH:23][c:24]4[C:25]3=[O:26])[cH:13][cH:14]2)=[C:27]2[C:28](=[O:39])[NH:29][c:30]3[cH:31][cH:32][c:33]([N+:36](=[O:37])[O-:38])[cH:34][c:35]32)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([NH:7][C:8]([c:9]2[cH:10][cH:11][c:12]([CH2:15][NH2:16])[cH:13][cH:14]2)=[C:27]2[C:28](=[O:39])[NH:29][c:30]3[cH:31][cH:32][c:33]([N+:36](=[O:37])[O-:38])[cH:34][c:35]32)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

5

Sources & evidence

ORD record
ord-65502ff575664672aa954a33a5a7c6ec
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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