Potassium Cation → 3-(2-(4-(4-acetylpiperazin-1-yl)phenylamino)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzamide

HRID 2315733Notes

Reaction equation

HRID 2315733 reaction equation
[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][CH2:6][N:7]([c:10]2[cH:11][cH:12][c:13]([NH:16][c:17]3[n:18][c:19]([NH:36][c:37]4[cH:38][c:39]([C:40](=[O:41])[NH2:42])[cH:43][cH:44][cH:45]4)[c:20]4[c:21]([n:22]3)[n:23]([S:26]([c:27]3[cH:28][cH:29][c:30]([CH3:31])[cH:32][cH:33]3)(=[O:34])=[O:35])[cH:24][cH:25]4)[cH:14][cH:15]2)[CH2:8][CH2:9]1.[CH3:48][OH:49].[K+:47].[OH-:46]>>[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][CH2:6][N:7]([c:10]2[cH:11][cH:12][c:13]([NH:16][c:17]3[n:18][c:19]([NH:36][c:37]4[cH:38][c:39]([C:40](=[O:41])[NH2:42])[cH:43][cH:44][cH:45]4)[c:20]4[c:21]([n:22]3)[nH:23][cH:24][cH:25]4)[cH:14][cH:15]2)[CH2:8][CH2:9]1

Participants

5

Reactant 4

HCID 813Potassium CationHCID 887MethanolHCID 961HydroxideHCID 579902883-(2-(4-(4-acetylpiperazin-1-yl)phenylamino)-7-tosyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzamide

Product 1

HCID 579904213-(2-(4-(4-acetylpiperazin-1-yl)phenylamino)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzamide

Sources & evidence

ORD record
ord-622a6ece96444588bbdec1e0665f2102
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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