Potassium Cation → 2-[5,6-dimethoxy-1-[2-(4-methylpiperazin-1-yl)ethyl]-1H-indol-3-yl]-5-fluoro-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridine

HRID 1137306Notes

Reaction equation

HRID 1137306 reaction equation
[C:37](=[O:38])([O-:39])[O-:40].[CH3:43][N:44]1[CH2:45][CH2:46][NH:47][CH2:48][CH2:49]1.[CH3:50][C:51]#[N:52].[F:1][c:2]1[cH:3][c:4]2[c:5]([n: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]>>[F:1][c:2]1[cH:3][c:4]2[c:5]([n: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:47]3[CH2:46][CH2:45][N:44]([CH3:43])[CH2:49][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 531671-MethylpiperazineHCID 671476345-fluoro-2-[1-(2-iodoethyl)-5,6-dimethoxy-1H-indol-3-yl]-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridine

Product 1

HCID 671474312-[5,6-dimethoxy-1-[2-(4-methylpiperazin-1-yl)ethyl]-1H-indol-3-yl]-5-fluoro-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridine

Sources & evidence

ORD record
ord-93e3a9e0a1e44a39880a43a5977b22a6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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