Potassium Cation → 3-chloro-N-[3-(4-chloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-ylmethoxy)-4-methyl-phenyl]-4-(2-hydroxy-ethylamino)-benzamide

HRID 203574Notes

Reaction equation

HRID 203574 reaction equation
[Br:29][CH2:30][c:31]1[n:32][n:33]([CH3:41])[c:34]2[n:35][cH:36][n:37][c:38]([Cl:40])[c:39]12.[C:23](=[O:24])([O-:25])[O-:26].[Cl:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[NH:7][c:8]2[cH:9][c:10]([OH:15])[c:11]([CH3:14])[cH:12][cH:13]2)[cH:16][cH:17][c:18]1[NH:19][CH2:20][CH2:21][OH:22].[K+:27].[K+:28]>>[Cl:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[NH:7][c:8]2[cH:9][c:10]([O:15][CH2:30][c:31]3[n:32][n:33]([CH3:41])[c:34]4[n:35][cH:36][n:37][c:38]([Cl:40])[c:39]34)[c:11]([CH3:14])[cH:12][cH:13]2)[cH:16][cH:17][c:18]1[NH:19][CH2:20][CH2:21][OH:22]

Participants

5

Reactant 4

HCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 575815813-bromomethyl-4-chloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidineHCID 575815943-chloro-4-(2-hydroxyethylamino)-N-(3-hydroxy-4-methyl-phenyl)-benzamide

Product 1

HCID 575815863-chloro-N-[3-(4-chloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-ylmethoxy)-4-methyl-phenyl]-4-(2-hydroxy-ethylamino)-benzamide

Sources & evidence

ORD record
ord-2c9fe41ecff24072aaa8563bd68bbc25
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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