Water → HCID 178509961, compound

HRID 663010Notes

Reaction equation

HRID 663010 reaction equation
[CH3:31][N:32]1[CH2:33][CH2:34][CH2:35][C:36]1=[O:37].[Cl:1][c:2]1[cH:3][c:4]([C:5]#[N:6])[cH:7][c:8]([O:10][c:11]2[n:12][c:13]([F:19])[c:14]([Cl:18])[cH:15][c:16]2[F:17])[cH:9]1.[NH2:20][CH2:21][c:22]1[n:23][nH:24][c:25]2[n:26][cH:27][cH:28][cH:29][c:30]12.[OH2:38]>>[Cl:1][c:2]1[cH:3][c:4]([C:5]#[N:6])[cH:7][c:8]([O:10][c:11]2[n:12][c:13]([NH:20][CH2:21][c:22]3[n:23][nH:24][c:25]4[n:26][cH:27][cH:28][cH:29][c:30]34)[c:14]([Cl:18])[cH:15][c:16]2[F:17])[cH:9]1

Participants

5

Reactant 4

HCID 962WaterHCID 13387N-methyl-2-pyrrolidoneHCID 595297603-Chloro-5-[(5-chloro-3,6-difluoro-2-pyridinyl)oxy]benzonitrileHCID 178510691HCID 178510691, compound

Product 1

HCID 178509961HCID 178509961, compound

Sources & evidence

ORD record
ord-81c00c39bfcc4632a9736421a4cf6f86
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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