Acetic Acid → HCID 67176821, compound

HRID 107345Notes

Reaction equation

HRID 107345 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:35]4[CH:36]([CH3:41])[CH2:37][O:38][CH2:39][CH2:40]4)[c:25]4[c:26]([n:27]3)[CH2:28][N:29]([C:32]([CH3:33])=[O:34])[CH2:30][CH2:31]4)[cH:20][cH:21]2)[n:14]1.[CH3:42][OH:43].[CH3:44][C:45](=[O:46])[OH:47]>>[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:35]4[CH:36]([CH3:41])[CH2:37][O:38][CH2:39][CH2:40]4)[c:25]4[c:26]([n:27]3)[CH2:28][N:29]([C:32]([CH3:33])=[O:34])[CH2:30][CH2:31]4)[cH:20][cH:21]2)[nH:14]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 887MethanolHCID 67276784HCID 67276784, compound

Product 1

HCID 67176821HCID 67176821, compound

Sources & evidence

ORD record
ord-92fe5674fafe4c9bbaf2c668dc10669d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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