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

HRID 690845

Reaction equation

HRID 690845 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.[CH3:24][CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[Cl:31][C:32](=[O:33])[O:34][c:35]1[cH:36][cH:37][c:38]([N+:39]([O-:40])=[O:41])[cH:42][cH:43]1.[O:57]1[CH2:58][CH2:59][CH2:60][CH2:61]1.[OH2:62].[c:44]1(-[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[cH:45][c:46]([NH2:50])[cH:47][cH:48][cH:49]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](=[O:33])[NH:50][c:46]3[cH:45][c:44](-[c:51]4[cH:52][cH:53][cH:54][cH:55][cH:56]4)[cH:49][cH:48][cH:47]3)[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

7

Reactant 6

HCID 962WaterHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 167173-AminobiphenylHCID 821294-Nitrophenyl chloroformateHCID 689998134-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-3-yl]aniline

Product 1

HCID 58980021N-3-biphenylyl-N'-{4-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-3-yl]phenyl}urea

Sources & evidence

ORD record
ord-f8ef1ed9936f4a8687837eeabc91fcc9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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