Ethanol → HCID 135841423, compound

HRID 190760Notes

Reaction equation

HRID 190760 reaction equation
[CH3:41][CH2:42][OH:43].[CH:1](=[O:2])[c:3]1[cH:4][cH:5][cH:6][cH:7][c:8]1[OH:9].[NH2:10][c:11]1[c:12]([Cl:40])[cH:13][c:14](-[c:17]2[n:18][n:19]([CH:27]3[CH2:28][CH2:29][CH:30]([N:33]4[CH2:34][CH2:35][N:36]([CH3:39])[CH2:37][CH2:38]4)[CH2:31][CH2:32]3)[c:20]3[n:21][cH:22][n:23][c:24]([NH2:26])[c:25]23)[cH:15][cH:16]1>>[CH:1]([c:3]1[cH:4][cH:5][cH:6][cH:7][c:8]1[OH:9])=[N:10][c:11]1[c:12]([Cl:40])[cH:13][c:14](-[c:17]2[n:18][n:19]([CH:27]3[CH2:28][CH2:29][CH:30]([N:33]4[CH2:34][CH2:35][N:36]([CH3:39])[CH2:37][CH2:38]4)[CH2:31][CH2:32]3)[c:20]3[n:21][cH:22][n:23][c:24]([NH2:26])[c:25]23)[cH:15][cH:16]1

Participants

4

Sources & evidence

ORD record
ord-96d4cc7fd0324415a4ffad5f28169041
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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