Potassium Cation → 2-[1-(2-{3-[4-chloro-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5,6-dimethoxyindol-1-yl}ethyl)piperidin-4-yl]ethanol

HRID 215089Notes

Reaction equation

HRID 215089 reaction equation
[C:37](=[O:38])([O-:39])[O-:40].[CH3:52][C:53]#[N:54].[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][cH:7]1)[n:8]([S:27](=[O:28])(=[O:29])[c:30]1[cH:31][cH:32][c:33]([CH3:36])[cH:34][cH:35]1)[c:9](-[c:11]1[cH:12][n:13]([CH2:24][CH2:25][I:26])[c:14]3[cH:15][c:16]([O:22][CH3:23])[c:17]([O:20][CH3:21])[cH:18][c:19]13)[cH:10]2.[K+:41].[K+:42].[NH:43]1[CH2:44][CH2:45][CH:46]([CH2:49][CH2:50][OH:51])[CH2:47][CH2:48]1>>[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][cH:7]1)[n:8]([S:27](=[O:28])(=[O:29])[c:30]1[cH:31][cH:32][c:33]([CH3:36])[cH:34][cH:35]1)[c:9](-[c:11]1[cH:12][n:13]([CH2:24][CH2:25][N:43]3[CH2:44][CH2:45][CH:46]([CH2:49][CH2:50][OH:51])[CH2:47][CH2:48]3)[c:14]3[cH:15][c:16]([O:22][CH3:23])[c:17]([O:20][CH3:21])[cH:18][c:19]13)[cH:10]2

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 739534-PiperidineethanolHCID 67147680HCID 67147680, compound

Product 1

HCID 671474712-[1-(2-{3-[4-chloro-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5,6-dimethoxyindol-1-yl}ethyl)piperidin-4-yl]ethanol

Sources & evidence

ORD record
ord-e1ad1d818c454ac39e31fdefc3cb857e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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