Potassium Cation → 1-tert-Butyl-5-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-(5-methoxy-2-pyrazol-1-yl-phenyl)-1H-benzimidazole

HRID 297550Notes

Reaction equation

HRID 297550 reaction equation
[Br:36][c:37]1[cH:38][c:39]2[c:40]([n:41][cH:42]1)[NH:43][CH2:44][CH2:45]2.[C:1]([CH3:2])([CH3:3])([CH3:4])[n:5]1[c:6](-[c:23]2[c:24](-[n:31]3[n:32][cH:33][cH:34][cH:35]3)[cH:25][cH:26][c:27]([O:29][CH3:30])[cH:28]2)[n:7][c:8]2[c:9]1[cH:10][cH:11][c:12]([B:14]1[O:15][C:16]([CH3:17])([CH3:18])[C:19]([CH3:20])([CH3:21])[O:22]1)[cH:13]2.[C:46](=[O:47])([O-:48])[O-:49].[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[K+:50].[K+:51].[OH2:59]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[n:5]1[c:6](-[c:23]2[c:24](-[n:31]3[n:32][cH:33][cH:34][cH:35]3)[cH:25][cH:26][c:27]([O:29][CH3:30])[cH:28]2)[n:7][c:8]2[c:9]1[cH:10][cH:11][c:12](-[c:37]1[cH:38][c:39]3[c:40]([n:41][cH:42]1)[NH:43][CH2:44][CH2:45]3)[cH:13]2

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 1140TolueneHCID 19660Carbonate IonHCID 219640795-Bromo-2,3-dihydro-7-azaindoleHCID 585420761-tert-butyl-2-(5-methoxy-2-pyrazol-1-yl-phenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazole

Product 1

HCID 532392081-tert-Butyl-5-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-(5-methoxy-2-pyrazol-1-yl-phenyl)-1H-benzimidazole

Sources & evidence

ORD record
ord-dbcc5c045339449f9c43cb6dba79aabf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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