3-{2-(3-Chloro-5-fluorophenyl)-5-[(4-oxoimidazolidin-1-yl)carbonyl]thiophen-3-yl}benzenecarbonitrile → 5-{2-(3-Chloro-5-fluorophenyl)-5-[(4-oxoimidazolidin-1-yl)carbonyl]thiophen-3-yl}-2-fluorobenzenecarbonitrile

HRID 1540675Notes

Reaction equation

HRID 1540675 reaction equation
[Cl:1][c:2]1[cH:3][c:4](-[c:9]2[s:10][c:11]([C:22](=[O:23])[N:24]3[CH2:25][NH:26][C:27](=[O:29])[CH2:28]3)[cH:12][c:13]2-[c:14]2[cH:15][c:16]([C:20]#[N:21])[cH:17][cH:18][cH:19]2)[cH:5][c:6]([F:8])[cH:7]1.[Cl:30][c:31]1[cH:32][c:33](-[c:34]2[s:35][c:36]([C:38]([OH:39])=[O:40])[cH:41][c:42]2-[c:43]2[cH:44][cH:45][c:46]([F:47])[c:48]([C:49]#[N:50])[cH:51]2)[cH:52][c:53]([F:37])[cH:54]1>>[Cl:1][c:2]1[cH:3][c:4](-[c:9]2[s:10][c:11]([C:22](=[O:23])[N:24]3[CH2:25][NH:26][C:27](=[O:29])[CH2:28]3)[cH:12][c:13]2-[c:14]2[cH:15][c:16]([C:20]#[N:21])[c:17]([F:37])[cH:18][cH:19]2)[cH:5][c:6]([F:8])[cH:7]1

Participants

3

Reactant 2

HCID 468335003-{2-(3-Chloro-5-fluorophenyl)-5-[(4-oxoimidazolidin-1-yl)carbonyl]thiophen-3-yl}benzenecarbonitrileHCID 580667555-(3-Chloro-5-fluorophenyl)-4-(3-cyano-4-fluorophenyl)thiophene-2-carboxylic acid

Product 1

HCID 468337925-{2-(3-Chloro-5-fluorophenyl)-5-[(4-oxoimidazolidin-1-yl)carbonyl]thiophen-3-yl}-2-fluorobenzenecarbonitrile

Sources & evidence

ORD record
ord-97c82344de304b86b40d3b7804c20f78
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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