Acetic Acid → HCID 87334574, compound

HRID 1127520Notes

Reaction equation

HRID 1127520 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][cH:12][c:13]([NH:15][c:16]2[cH:17][cH:18][c:19](-[c:22]3[n:23][c:24]([N:34]4[CH:35]([CH3:40])[CH2:36][O:37][CH2:38][CH2:39]4)[c:25]4[c:26]([n:27]3)[CH2:28][N:29]([CH:32]=[O:33])[CH2:30][CH2:31]4)[cH:20][cH:21]2)[n:14]1.[CH3:41][OH:42].[CH3:43][C:44](=[O:45])[OH:46]>>[O:8]=[c:9]1[cH:10][cH:11][cH:12][c:13]([NH:15][c:16]2[cH:17][cH:18][c:19](-[c:22]3[n:23][c:24]([N:34]4[CH:35]([CH3:40])[CH2:36][O:37][CH2:38][CH2:39]4)[c:25]4[c:26]([n:27]3)[CH2:28][N:29]([CH:32]=[O:33])[CH2:30][CH2:31]4)[cH:20][cH:21]2)[nH:14]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 887MethanolHCID 72241185HCID 72241185, compound

Product 1

HCID 87334574HCID 87334574, compound

Sources & evidence

ORD record
ord-8047da5befc3422a8677051617d15b51
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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