Water → HCID 11975201, compound

HRID 143591Notes

Reaction equation

HRID 143591 reaction equation
[CH3:22][N:23]1[CH2:24][CH2:25][N:26]([c:29]2[cH:30][cH:31][c:32]([NH2:33])[cH:34][cH:35]2)[CH2:27][CH2:28]1.[CH:48]([OH:49])([CH3:50])[CH3:51].[NH2:1][c:2]1[n:3][c:4]([S:17]([CH2:18][CH3:19])(=[O:20])=[O:21])[n:5][cH:6][c:7]1[C:8](=[O:9])[c:10]1[cH:11][c:12]([F:16])[cH:13][cH:14][cH:15]1.[OH2:36].[c:37]1([CH3:38])[cH:39][cH:40][c:41]([S:42]([OH:43])(=[O:44])=[O:45])[cH:46][cH:47]1>>[NH2:1][c:2]1[n:3][c:4]([NH:33][c:32]2[cH:31][cH:30][c:29]([N:26]3[CH2:25][CH2:24][N:23]([CH3:22])[CH2:28][CH2:27]3)[cH:35][cH:34]2)[n:5][cH:6][c:7]1[C:8](=[O:9])[c:10]1[cH:11][c:12]([F:16])[cH:13][cH:14][cH:15]1

Participants

6

Reactant 5

HCID 962WaterHCID 3776IsopropanolHCID 6101p-Toluenesulfonic acidHCID 7372534-(4-Methylpiperazin-1-yl)anilineHCID 11974951(4-amino-2-ethanesulfonyl-pyrimidin-5-yl)-(3-fluoro-phenyl)-methanone

Product 1

HCID 11975201HCID 11975201, compound

Sources & evidence

ORD record
ord-99cc0638d6b845cfb12bb1eaf809b689
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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