Acetic Acid → HCID 178516256, compound

HRID 681648Notes

Reaction equation

[C:35]([OH:36])(=[O:37])[CH3:38].[ClH:39].[K+:34].[O:1]=[c:2]1[cH:3][cH:4][cH:5][n:6][n:7]1-[c:8]1[cH:9][cH:10][c:11](-[c:14]2[cH:15][cH:16][c:17]([N:20]3[CH:21]4[CH:22]([CH2:23][CH2:24]3)[CH2:25][N:26]([C:28]([O:29][CH2:30][CH3:31])=[O:32])[CH2:27]4)[cH:18][cH:19]2)[cH:12][cH:13]1.[OH-:33].[OH2:40]>>[O:1]=[c:2]1[cH:3][cH:4][cH:5][n:6][n:7]1-[c:8]1[cH:9][cH:10][c:11](-[c:14]2[cH:15][cH:16][c:17]([N:20]3[CH:21]4[CH:22]([CH2:23][CH2:24]3)[CH2:25][NH:26][CH2:27]4)[cH:18][cH:19]2)[cH:12][cH:13]1

Participants

Reactant 6

HCID 176Acetic Acid

HCID 313Hydrochloric Acid

HCID 813Potassium Cation

HCID 961Hydroxide

HCID 962Water

HCID 178473303ethyl 1-[4-[4-(6-oxopyridazin-1-yl)phenyl]phenyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxylate

Product 1

HCID 178516256HCID 178516256, compound

Sources & evidence

ORD record: ord-3112d67bff124956bf7c5117e71a3190
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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