Ethanol → HCID 58127539, compound

HRID 2127815Notes

Reaction equation

HRID 2127815 reaction equation
[CH2:31]([OH:32])[CH3:33].[N+:1]([O-:2])(=[O:3])[c:4]1[cH:5][c:6](-[c:10]2[n:11][c:12]([CH2:15][n:16]3[n:17][cH:18][c:19]([C:21](=[O:22])[O:23][CH2:24][CH3:25])[cH:20]3)[s:13][cH:14]2)[cH:7][cH:8][cH:9]1.[O:26]1[CH2:27][CH2:28][CH2:29][CH2:30]1>>[NH2:1][c:4]1[cH:5][c:6](-[c:10]2[n:11][c:12]([CH2:15][n:16]3[n:17][cH:18][c:19]([C:21](=[O:22])[O:23][CH2:24][CH3:25])[cH:20]3)[s:13][cH:14]2)[cH:7][cH:8][cH:9]1

Participants

4

Sources & evidence

ORD record
ord-e50365b6c8a7468faa97b66354c9593f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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