Ethanol → HCID 178426137, compound

HRID 154405Notes

Reaction equation

HRID 154405 reaction equation
[CH3:46][CH2:47][OH:48].[Cl:1][c:2]1[n:3][c:4]([CH3:42])[c:5]([C:6](=[O:7])[NH:8][CH2:9][CH2:10][CH:11]([CH3:12])[N:13]2[CH2:14][CH2:15][CH:16]([NH:19][CH:20]([CH2:21][N:22]3[C:23](=[O:24])[c:25]4[c:26]([cH:27][cH:28][cH:29][cH:30]4)[C:31]3=[O:32])[c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[CH2:17][CH2:18]2)[c:39]([CH3:41])[cH:40]1.[NH2:44][NH2:45].[OH2:43]>>[Cl:1][c:2]1[n:3][c:4]([CH3:42])[c:5]([C:6](=[O:7])[NH:8][CH2:9][CH2:10][CH:11]([CH3:12])[N:13]2[CH2:14][CH2:15][CH:16]([NH:19][CH:20]([CH2:21][NH2:22])[c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[CH2:17][CH2:18]2)[c:39]([CH3:41])[cH:40]1

Participants

5

Sources & evidence

ORD record
ord-72078fba023f4e3b87aa79df91eff57d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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