Acetic Acid → HCID 10458738, compound

HRID 1224008Notes

Reaction equation

HRID 1224008 reaction equation
[CH2:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[O:10][CH:11]([C:12](=[O:13])[O:14][CH3:15])[CH2:16][c:17]1[cH:18][cH:19][c:20](-[c:23]2[cH:24][c:25]([N:29]([C:30](=[O:31])[NH:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH3:39])[CH3:40])[cH:26][cH:27][cH:28]2)[cH:21][cH:22]1.[CH3:41][OH:42].[CH3:49][C:50](=[O:51])[OH:52].[Na+:2].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1.[OH-:1].[OH2:48]>>[CH2:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[O:10][CH:11]([C:12](=[O:13])[OH:14])[CH2:16][c:17]1[cH:18][cH:19][c:20](-[c:23]2[cH:24][c:25]([N:29]([C:30](=[O:31])[NH:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH3:39])[CH3:40])[cH:26][cH:27][cH:28]2)[cH:21][cH:22]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 77263165HCID 77263165, compound

Product 1

HCID 10458738HCID 10458738, compound

Sources & evidence

ORD record
ord-5e3360495b044d619495057da2d72038
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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