Acetic Acid → HCID 69831104, compound

HRID 1214349Notes

Reaction equation

HRID 1214349 reaction equation
[CH2:40]1[CH2:41][CH2:42][NH:43][CH2:44][CH2:45]1.[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH:28]2[O:29][CH2:30][CH2:31][O:32]2)[cH:6][cH:7][c:8]1[O:9][CH2:10][c:11]1[n:12][c:13](-[c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[o:14][c:15]1[CH3:16].[CH3:46][C:47](=[O:48])[OH:49].[O:33]1[C:34](=[O:39])[NH:35][C:36](=[O:38])[CH2:37]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH:28]=[C:37]2[O:33][C:34](=[O:39])[NH:35][C:36]2=[O:38])[cH:6][cH:7][c:8]1[O:9][CH2:10][c:11]1[n:12][c:13](-[c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[o:14][c:15]1[CH3:16]

Participants

5

Sources & evidence

ORD record
ord-6a836df7d6ff409bbde76e0d2dd23447
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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