Acetic Acid → HCID 45139223, compound

HRID 140062Notes

Reaction equation

HRID 140062 reaction equation
[BrH:35].[C:36]([OH:37])(=[O:38])[CH3:39].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[n:10][cH:11][cH:12][cH:13][c:14]1-[c:15]1[cH:16][c:17]([C:31]([CH3:32])([CH3:33])[CH3:34])[c:18]2[c:19]([c:20](-[c:23]3[cH:24][cH:25][c:26]([NH2:29])[n:27][cH:28]3)[cH:21][o:22]2)[cH:30]1>>[O:8]=[c:9]1[nH:10][cH:11][cH:12][cH:13][c:14]1-[c:15]1[cH:16][c:17]([C:31]([CH3:32])([CH3:33])[CH3:34])[c:18]2[c:19]([c:20](-[c:23]3[cH:24][cH:25][c:26]([NH2:29])[n:27][cH:28]3)[cH:21][o:22]2)[cH:30]1

Participants

4

Sources & evidence

ORD record
ord-f489636b29374f16812ae1327137747d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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