Water → 2-(2-(4-((6-Amino-3-pyridinyl)sulfonyl)phenyl)-5-pyrimidinyl)-1,1,1-trifluoro-2-propanol

HRID 672101Notes

Reaction equation

HRID 672101 reaction equation
[C:40](=[O:41])([O-:42])[O-:43].[CH3:1][C:2]1([CH3:3])[C:4]([CH3:5])([CH3:6])[O:7][B:8]([c:9]2[cH:10][cH:11][c:12]([S:15](=[O:16])(=[O:17])[c:18]3[cH:19][cH:20][c:21]([NH2:24])[n:22][cH:23]3)[cH:13][cH:14]2)[O:25]1.[CH3:46][O:47][CH2:48][CH2:49][O:50][CH3:51].[Cl:26][c:27]1[n:28][cH:29][c:30]([C:33]([C:34]([F:35])([F:36])[F:37])([CH3:38])[OH:39])[cH:31][n:32]1.[Cs+:44].[Cs+:45].[OH2:52]>>[c:9]1(-[c:27]2[n:28][cH:29][c:30]([C:33]([C:34]([F:35])([F:36])[F:37])([CH3:38])[OH:39])[cH:31][n:32]2)[cH:10][cH:11][c:12]([S:15](=[O:16])(=[O:17])[c:18]2[cH:19][cH:20][c:21]([NH2:24])[n:22][cH:23]2)[cH:13][cH:14]1

Participants

7

Reactant 6

HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 665829285-((4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)sulfonyl)-2-pyridinamineHCID 866703602-(2-Chloropyrimidin-5-yl)-1,1,1-trifluoropropan-2-ol

Product 1

HCID 665824472-(2-(4-((6-Amino-3-pyridinyl)sulfonyl)phenyl)-5-pyrimidinyl)-1,1,1-trifluoro-2-propanol

Sources & evidence

ORD record
ord-5a0b72a843d849d0b0ada489bbcd58ba
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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