Ethanol → HCID 23000295, compound

HRID 664059Notes

Reaction equation

HRID 664059 reaction equation
[CH3:45][CH2:46][OH:47].[Na+:44].[OH-:43].[c:1]1([CH:7]([O:8][CH:9]2[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][CH2:17][NH:18][c:19]3[cH:20][cH:21][c:22]4[n:23]([n:24]3)[c:25](=[O:36])[n:26]([C:28]([C:29](=[O:30])[O:31][CH2:32][CH3:33])([CH3:34])[CH3:35])[n:27]4)[CH2:13][CH2:14]2)[c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]([O:8][CH:9]2[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][CH2:17][NH:18][c:19]3[cH:20][cH:21][c:22]4[n:23]([n:24]3)[c:25](=[O:36])[n:26]([C:28]([C:29](=[O:30])[OH:31])([CH3:34])[CH3:35])[n:27]4)[CH2:13][CH2:14]2)[c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

5

Sources & evidence

ORD record
ord-519ac18dbd99412a8dd64776f6e4a8ef
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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