Ethanol → HCID 178487851, compound

HRID 139918Notes

Reaction equation

HRID 139918 reaction equation
[CH3:38][CH2:39][OH:40].[Cl:35][CH2:36][Cl:37].[NH2:1][CH2:2][CH:3]1[CH:4]([OH:22])[CH2:5][N:6]([CH2:8][CH2:9][c:10]2[cH:11][cH:12][n:13][c:14]3[cH:15][cH:16][c:17]([O:20][CH3:21])[n:18][c:19]23)[CH2:7]1.[O:23]1[CH2:24][CH2:25][O:26][c:27]2[cH:28][n:29][c:30]([CH:33]=[O:34])[cH:31][c:32]21>>[NH:1]([CH2:2][CH:3]1[CH:4]([OH:22])[CH2:5][N:6]([CH2:8][CH2:9][c:10]2[cH:11][cH:12][n:13][c:14]3[cH:15][cH:16][c:17]([O:20][CH3:21])[n:18][c:19]23)[CH2:7]1)[CH2:33][c:30]1[n:29][cH:28][c:27]2[c:32]([cH:31]1)[O:23][CH2:24][CH2:25][O:26]2

Participants

5

Sources & evidence

ORD record
ord-994e8e5466d44dbbb18d31cff51681ba
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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