Acetic Acid → HCID 178459299, compound

Reaction equation

[CH3:28][C:29](=[O:30])[OH:31].[Cl:1][c:2]1[n:3][c:4]([NH:11][CH:12]([C:13]([CH3:14])([OH:15])[CH3:16])[c:17]2[cH:18][cH:19][c:20]([F:23])[cH:21][cH:22]2)[c:5]2[c:6]([n:7]1)[CH2:8][CH2:9][S:10]2.[NH3:27].[OH2:26].[OH:24][OH:25]>>[Cl:1][c:2]1[n:3][c:4]([NH:11][CH:12]([C:13]([CH3:14])([OH:15])[CH3:16])[c:17]2[cH:18][cH:19][c:20]([F:23])[cH:21][cH:22]2)[c:5]2[c:6]([n:7]1)[CH2:8][CH2:9][S:10]2=[O:24]

Participants

Reactant 5

HCID 176Acetic Acid

HCID 222Ammonia

HCID 784Hydrogen Peroxide

HCID 962Water

HCID 723642671-[(2-Chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-1-(4-fluorophenyl)-2-methylpropan-2-ol

Product 1

HCID 178459299HCID 178459299, compound

Sources & evidence

ORD record: ord-c206e6db3cb440798f4ae8db9aff8cc2
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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