Acetic Acid → HCID 66990507, compound

HRID 2335996Notes

Reaction equation

HRID 2335996 reaction equation
[C:3](=[O:4])([CH3:5])[O:6][CH2:7][CH2:8][c:9]1[cH:10][cH:11][c:12]([O:37][CH2:38][c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:13]([C:14](=[O:15])[NH:16][c:17]2[c:18]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[cH:26][cH:27][c:28](-[c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[cH:29]2)[cH:36]1.[CH3:45][C:46](=[O:47])[OH:48].[CH3:49][OH:50].[Na+:2].[O:51]1[CH2:52][CH2:53][O:54][CH2:55][CH2:56]1.[OH-:1]>>[OH:6][CH2:7][CH2:8][c:9]1[cH:10][cH:11][c:12]([O:37][CH2:38][c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:13]([C:14](=[O:15])[NH:16][c:17]2[c:18]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[cH:26][cH:27][c:28](-[c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[cH:29]2)[cH:36]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 312751,4-DioxaneHCID 66990334HCID 66990334, compound

Product 1

HCID 66990507HCID 66990507, compound

Sources & evidence

ORD record
ord-484b59665e6648b5b5b848c9375d069c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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