Potassium Cation → 5-(5-{[(2,2-dimethylpropyl)amino]methyl}-3-pyridinyl)-3-[1-(ethylsulfonyl)-4-piperidinyl]-1H-indole-7-carboxamide

HRID 96635Notes

Reaction equation

HRID 96635 reaction equation
[Br:23][c:24]1[cH:25][c:26]2[c:27]([CH:36]3[CH2:37][CH2:38][N:39]([S:42](=[O:43])(=[O:44])[CH2:45][CH3:46])[CH2:40][CH2:41]3)[cH:28][nH:29][c:30]2[c:31]([C:33](=[O:34])[NH2:35])[cH:32]1.[C:47](=[O:48])([O-:49])[O-:50].[CH3:1][C:2]([CH2:3][NH:4][CH2:5][c:6]1[cH:7][n:8][cH:9][c:10]([B:12]2[O:13][C:14]([CH3:15])([CH3:16])[C:17]([CH3:18])([CH3:19])[O:20]2)[cH:11]1)([CH3:21])[CH3:22].[K+:51].[K+:52]>>[CH3:1][C:2]([CH2:3][NH:4][CH2:5][c:6]1[cH:7][n:8][cH:9][c:10](-[c:24]2[cH:25][c:26]3[c:27]([CH:36]4[CH2:37][CH2:38][N:39]([S:42](=[O:43])(=[O:44])[CH2:45][CH3:46])[CH2:40][CH2:41]4)[cH:28][nH:29][c:30]3[c:31]([C:33](=[O:34])[NH2:35])[cH:32]2)[cH:11]1)([CH3:21])[CH3:22]

Participants

5

Reactant 4

HCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 113844275-bromo-3-[1-(ethanesulfonyl)-4-piperidinyl]-1H-indole-7-carboxamideHCID 574157122,2-dimethyl-N-((5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)methyl)propan-1-amine

Product 1

HCID 577328035-(5-{[(2,2-dimethylpropyl)amino]methyl}-3-pyridinyl)-3-[1-(ethylsulfonyl)-4-piperidinyl]-1H-indole-7-carboxamide

Sources & evidence

ORD record
ord-e81a6523915e4ffc849c6e2c3aae25c2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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