Tetrahydrofuran → N-(3-tert-butyl-1-{3-[[(dimethylamino)sulfonyl](3-hydroxypropyl)amino]phenyl}-1H-pyrazol-5-yl)-N'-[4-(pyridin-4-yloxy)phenyl]urea

HRID 2333421Notes

Reaction equation

HRID 2333421 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:21][C:22](=[O:23])[NH:24][c:25]2[cH:26][cH:27][c:28]([O:31][c:32]3[cH:33][cH:34][n:35][cH:36][cH:37]3)[cH:29][cH:30]2)[n:8](-[c:10]2[cH:11][c:12]([NH:16][CH2:17][CH2:18][CH2:19][OH:20])[cH:13][cH:14][cH:15]2)[n:9]1.[CH2:54]1[O:55][CH2:56][CH2:57][CH2:58]1.[CH3:38][N:39]([S:40](=[O:41])(=[O:42])[Cl:43])[CH3:44].[CH:45]([N:46]([CH2:47][CH3:48])[CH:49]([CH3:50])[CH3:51])([CH3:52])[CH3:53]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:21][C:22](=[O:23])[NH:24][c:25]2[cH:26][cH:27][c:28]([O:31][c:32]3[cH:33][cH:34][n:35][cH:36][cH:37]3)[cH:29][cH:30]2)[n:8](-[c:10]2[cH:11][c:12]([N:16]([CH2:17][CH2:18][CH2:19][OH:20])[S:40]([N:39]([CH3:38])[CH3:44])(=[O:41])=[O:42])[cH:13][cH:14][cH:15]2)[n:9]1

Participants

5

Reactant 4

HCID 8028TetrahydrofuranHCID 81531DiisopropylethylamineHCID 83372Dimethylsulphamoyl chlorideHCID 115696011-{5-tert-butyl-2-[3-(3-hydroxy-propylamino)-phenyl]-2H-pyrazol-3-yl}-3-[4-(pyridin-4-yloxy)-phenyl]-urea

Product 1

HCID 11563439N-(3-tert-butyl-1-{3-[[(dimethylamino)sulfonyl](3-hydroxypropyl)amino]phenyl}-1H-pyrazol-5-yl)-N'-[4-(pyridin-4-yloxy)phenyl]urea

Sources & evidence

ORD record
ord-040f8655fdd94ec595258bec620cf672
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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