Ethanolamine → N-(2-hydroxyethyl)-2-[3-(4-{[(phenylamino)carbonyl]amino}phenyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-1-yl]acetamide

HRID 99325Notes

Reaction equation

HRID 99325 reaction equation
[C:35]([n:36]1[cH:37][cH:38][n:39][cH:40]1)([n:41]1[cH:42][cH:43][n:44][cH:45]1)=[O:46].[CH3:51][N:52]([CH3:53])[CH:54]=[O:55].[NH2:47][CH2:48][CH2:49][OH:50].[c:1]1([NH:7][C:8](=[O:9])[NH:10][c:11]2[cH:12][cH:13][c:14](-[c:17]3[n:18][n:19]([CH2:31][C:32](=[O:33])[OH:34])[cH:20][c:21]3-[c:22]3[c:23]4[c:24]([n:25][cH:26][cH:27]3)[nH:28][cH:29][cH:30]4)[cH:15][cH:16]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([NH:7][C:8](=[O:9])[NH:10][c:11]2[cH:12][cH:13][c:14](-[c:17]3[n:18][n:19]([CH2:31][C:32](=[O:34])[NH:47][CH2:48][CH2:49][OH:50])[cH:20][c:21]3-[c:22]3[c:23]4[c:24]([n:25][cH:26][cH:27]3)[nH:28][cH:29][cH:30]4)[cH:15][cH:16]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

5

Reactant 4

HCID 700EthanolamineHCID 6228DimethylformamideHCID 682631,1'-CarbonyldiimidazoleHCID 68996013[3-(4-{[(phenylamino)carbonyl]amino}phenyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-1-yl]acetic acid

Product 1

HCID 58980056N-(2-hydroxyethyl)-2-[3-(4-{[(phenylamino)carbonyl]amino}phenyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-1-yl]acetamide

Sources & evidence

ORD record
ord-39455f148d384220b670413f5ce9404a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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