Water → 6-(6-Chloro-pyrimidin-4-yloxy)-isoquinoline-1-carboxylic acid [5-tert-butyl-2-(4-methoxy-phenyl)-2H-pyrazol-3-yl]-amide

HRID 1138722Notes

Reaction equation

HRID 1138722 reaction equation
[C:28]([CH3:29])([CH3:30])([CH3:31])[c:32]1[cH:33][c:34]([NH2:45])[n:35](-[c:37]2[cH:38][cH:39][c:40]([O:43][CH3:44])[cH:41][cH:42]2)[n:36]1.[Cl:1][c:2]1[cH:3][c:4]([O:8][c:9]2[cH:10][c:11]3[cH:12][cH:13][n:14][c:15]([C:19](=[O:20])[Cl:21])[c:16]3[cH:17][cH:18]2)[n:5][cH:6][n:7]1.[Cl:47][CH2:48][Cl:49].[OH2:46].[cH:22]1[cH:23][cH:24][n:25][cH:26][cH:27]1>>[Cl:1][c:2]1[cH:3][c:4]([O:8][c:9]2[cH:10][c:11]3[cH:12][cH:13][n:14][c:15]([C:19](=[O:20])[NH:45][c:34]4[cH:33][c:32]([C:28]([CH3:29])([CH3:30])[CH3:31])[n:36][n:35]4-[c:37]4[cH:38][cH:39][c:40]([O:43][CH3:44])[cH:41][cH:42]4)[c:16]3[cH:17][cH:18]2)[n:5][cH:6][n:7]1

Participants

6

Reactant 5

HCID 962WaterHCID 1049PyridineHCID 6344DichloromethaneHCID 111393953-(tert-Butyl)-1-(4-methoxyphenyl)-1H-pyrazol-5-amineHCID 866386226-(6-Chloro-pyrimidin-4-yloxy)-isoquinoline-1-carbonyl chloride

Product 1

HCID 866386216-(6-Chloro-pyrimidin-4-yloxy)-isoquinoline-1-carboxylic acid [5-tert-butyl-2-(4-methoxy-phenyl)-2H-pyrazol-3-yl]-amide

Sources & evidence

ORD record
ord-649f7d21025e4c08ac372e09497fe57d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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