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

HRID 153131Notes

Reaction equation

HRID 153131 reaction equation
[Br:22][c:23]1[cH:24][c:25]2[c:26]([CH:35]3[CH2:36][CH2:37][N:38]([S:41](=[O:42])(=[O:43])[CH2:44][CH3:45])[CH2:39][CH2:40]3)[cH:27][nH:28][c:29]2[c:30]([C:32](=[O:33])[NH2:34])[cH:31]1.[C:52](=[O:53])([O-:54])[O-:55].[CH:1]1([CH2:4][NH:5][CH2:6][c:7]2[cH:8][n:9][cH:10][c:11]([B:13]3[O:14][C:15]([CH3:16])([CH3:17])[C:18]([CH3:19])([CH3:20])[O:21]3)[cH:12]2)[CH2:2][CH2:3]1.[K+:56].[K+:57].[O:46]1[CH2:47][CH2:48][O:49][CH2:50][CH2:51]1.[OH2:58]>>[CH:1]1([CH2:4][NH:5][CH2:6][c:7]2[cH:8][n:9][cH:10][c:11](-[c:23]3[cH:24][c:25]4[c:26]([CH:35]5[CH2:36][CH2:37][N:38]([S:41](=[O:42])(=[O:43])[CH2:44][CH3:45])[CH2:39][CH2:40]5)[cH:27][nH:28][c:29]4[c:30]([C:32](=[O:33])[NH2:34])[cH:31]3)[cH:12]2)[CH2:2][CH2:3]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 113844275-bromo-3-[1-(ethanesulfonyl)-4-piperidinyl]-1H-indole-7-carboxamideHCID 574157101-cyclopropyl-N-((5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)methyl)methanamine

Product 1

HCID 577327605-(5-{[(cyclopropylmethyl)amino]methyl}-3-pyridinyl)-3-[1-(ethylsulfonyl)-4-piperidinyl]-1H-indole-7-carboxamide

Sources & evidence

ORD record
ord-bc0bd635ecdc4c7d9436ead0345e1da7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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