Acetic Acid → HCID 11646949, compound

HRID 1135575Notes

Reaction equation

HRID 1135575 reaction equation
[CH2:3]([CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH3:9])[NH:10][C:11]([N:12]([CH3:13])[c:14]1[cH:15][c:16](-[c:20]2[cH:21][cH:22][c:23]([CH2:26][CH2:27][C:28](=[O:29])[O:30][CH2:31][CH3:32])[cH:24][n:25]2)[cH:17][cH:18][cH:19]1)=[O:33].[CH3:34][OH:35].[CH3:42][CH2:43][CH2:44][CH2:45][CH3:46].[CH3:47][C:48](=[O:49])[OH:50].[Na+:2].[O:36]1[CH2:37][CH2:38][CH2:39][CH2:40]1.[OH-:1].[OH2:41]>>[CH2:3]([CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH3:9])[NH:10][C:11]([N:12]([CH3:13])[c:14]1[cH:15][c:16](-[c:20]2[cH:21][cH:22][c:23]([CH2:26][CH2:27][C:28](=[O:29])[OH:30])[cH:24][n:25]2)[cH:17][cH:18][cH:19]1)=[O:33]

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8003PentaneHCID 8028TetrahydrofuranHCID 66591351HCID 66591351, compound

Product 1

HCID 11646949HCID 11646949, compound

Sources & evidence

ORD record
ord-684e49f7eb2040858276ff253eb9ebaa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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