Benzene, 1-chloro-3-isocyanato- → N-(3-Chlorophenyl)-N'-{4-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-3-yl]phenyl}urea

HRID 681319Notes

Reaction equation

HRID 681319 reaction equation
[CH2:1]([CH3:2])[n:3]1[n:4][c:5](-[c:17]2[cH:18][cH:19][c:20]([NH2:21])[cH:22][cH:23]2)[c:6](-[c:8]2[c:9]3[c:10]([n:11][cH:12][cH:13]2)[nH:14][cH:15][cH:16]3)[cH:7]1.[Cl:24][c:25]1[cH:26][c:27]([N:31]=[C:32]=[O:33])[cH:28][cH:29][cH:30]1>>[CH2:1]([CH3:2])[n:3]1[n:4][c:5](-[c:17]2[cH:18][cH:19][c:20]([NH:21][C:32]([NH:31][c:27]3[cH:26][c:25]([Cl:24])[cH:30][cH:29][cH:28]3)=[O:33])[cH:22][cH:23]2)[c:6](-[c:8]2[c:9]3[c:10]([n:11][cH:12][cH:13]2)[nH:14][cH:15][cH:16]3)[cH:7]1

Participants

3

Reactant 2

HCID 17968Benzene, 1-chloro-3-isocyanato-HCID 689998134-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-3-yl]aniline

Product 1

HCID 58980029N-(3-Chlorophenyl)-N'-{4-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-3-yl]phenyl}urea

Sources & evidence

ORD record
ord-1275e51ded9a43999007a81613911006
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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