Acetic Acid → HCID 67504914, compound

HRID 165506Notes

Reaction equation

HRID 165506 reaction equation
[CH3:30][O:31][CH2:32][CH:33]([CH3:34])[OH:35].[CH3:48][C:49](=[O:50])[OH:51].[CH:1]1([CH2:6][CH:7]([C:8](=[O:9])[NH:10][c:11]2[n:12][n:13]([CH2:16][C:17]([CH3:18])([CH3:19])[OH:20])[cH:14][cH:15]2)[N:21]2[C:22](=[O:28])[CH:23]=[C:24]([O:26][CH3:27])[CH2:25]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[ClH:29].[OH2:36].[c:37]1([CH3:38])[cH:39][cH:40][c:41]([S:42]([OH:43])(=[O:44])=[O:45])[cH:46][cH:47]1>>[CH:1]1([CH2:6][CH:7]([C:8](=[O:9])[NH:10][c:11]2[n:12][n:13]([CH2:16][C:17]([CH3:18])([CH3:19])[OH:20])[cH:14][cH:15]2)[N:21]2[C:22](=[O:28])[CH:23]=[C:24]([O:35][CH:33]([CH2:32][O:31][CH3:30])[CH3:34])[CH2:25]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 79001-Methoxy-2-propanolHCID 66899805HCID 66899805, compound

Product 1

HCID 67504914HCID 67504914, compound

Sources & evidence

ORD record
ord-3f2fcac450eb4bf994fe44049a3c9c69
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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