Acetic Acid → HCID 70047218, compound

HRID 1127972Notes

Reaction equation

HRID 1127972 reaction equation
[CH3:36][C:37](=[O:38])[OH:39].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH2:7][N:8]2[S:9](=[O:10])(=[O:11])[c:12]3[cH:13][cH:14][cH:15][c:16]([CH:20]([CH3:21])[CH3:22])[c:17]3[C:18]2=[O:19])[c:23]([Cl:35])[cH:24][cH:25][c:26]1[O:27][CH2:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[H:40][H:41]>>[Cl:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH2:7][N:8]2[S:9](=[O:10])(=[O:11])[c:12]3[cH:13][cH:14][cH:15][c:16]([CH:20]([CH3:21])[CH3:22])[c:17]3[C:18]2=[O:19])[c:23]([Cl:35])[cH:24][cH:25][c:26]1[OH:27]

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 8857Ethyl AcetateHCID 70046996HCID 70046996, compoundHCID 178418361HCID 178418361, compound

Product 1

HCID 70047218HCID 70047218, compound

Sources & evidence

ORD record
ord-933310b93e85474cb30e588d10a7d2e3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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