Pyridine → 3-(3-{3-[2-Chloro-4-(2,4-difluoro-phenylamino)-benzoyl]-4-methyl-phenyl}-ureido)-propionic acid ethyl ester

HRID 188553

Reaction equation

HRID 188553 reaction equation
[N:27](=[C:28]=[O:29])[CH2:30][CH2:31][C:32](=[O:33])[O:34][CH2:35][CH3:36].[NH2:1][c:2]1[cH:3][cH:4][c:5]([CH3:26])[c:6]([C:8](=[O:9])[c:10]2[c:11]([Cl:25])[cH:12][c:13]([NH:16][c:17]3[c:18]([F:24])[cH:19][c:20]([F:23])[cH:21][cH:22]3)[cH:14][cH:15]2)[cH:7]1.[cH:37]1[cH:38][cH:39][n:40][cH:41][cH:42]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([CH3:26])[c:6]([C:8](=[O:9])[c:10]2[c:11]([Cl:25])[cH:12][c:13]([NH:16][c:17]3[c:18]([F:24])[cH:19][c:20]([F:23])[cH:21][cH:22]3)[cH:14][cH:15]2)[cH:7]1)[C:28]([NH:27][CH2:30][CH2:31][C:32](=[O:33])[O:34][CH2:35][CH3:36])=[O:29]

Participants

4

Reactant 3

HCID 1049PyridineHCID 2733373Ethyl 3-isocyanatopropanoateHCID 11538012(5-Amino-2-methyl-phenyl)-[2-chloro-4-(2,4-difluoro-phenylamino)-phenyl]-methanone

Product 1

HCID 112722953-(3-{3-[2-Chloro-4-(2,4-difluoro-phenylamino)-benzoyl]-4-methyl-phenyl}-ureido)-propionic acid ethyl ester

Sources & evidence

ORD record
ord-b5bb73836e55498f8acdea836860e1b5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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