Water → 1-(3,5-Dichlorophenyl)-3-[4-(4-fluorophenyl)-1-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-3-yl]-1,3-dimethylurea

HRID 2326958Notes

Reaction equation

HRID 2326958 reaction equation
[CH3:39][S:40](=[O:41])(=[O:42])[N:43]1[CH2:44][CH2:45][NH:46][CH2:47][CH2:48]1.[CH3:50][N:51]1[CH2:52][CH2:53][CH2:54][C:55]1=[O:56].[Cl:1][c:2]1[cH:3][c:4]([N:9]([C:10](=[O:11])[N:12]([CH:13]2[CH2:14][N:15]([C:25]([O:27][c:26]3[cH:28][cH:29][c:30]([N+:31]([O-:32])=[O:33])[cH:34][cH:35]3)=[O:36])[CH2:16][CH:17]2[c:18]2[cH:19][cH:20][c:21]([F:24])[cH:22][cH:23]2)[CH3:37])[CH3:38])[cH:5][c:6]([Cl:8])[cH:7]1.[OH2:49]>>[Cl:1][c:2]1[cH:3][c:4]([N:9]([C:10](=[O:11])[N:12]([CH:13]2[CH2:14][N:15]([C:25](=[O:27])[N:46]3[CH2:45][CH2:44][N:43]([S:40]([CH3:39])(=[O:41])=[O:42])[CH2:48][CH2:47]3)[CH2:16][CH:17]2[c:18]2[cH:19][cH:20][c:21]([F:24])[cH:22][cH:23]2)[CH3:37])[CH3:38])[cH:5][c:6]([Cl:8])[cH:7]1

Participants

5

Reactant 4

HCID 962WaterHCID 13387N-methyl-2-pyrrolidoneHCID 7091611-(Methylsulfonyl)piperazineHCID 178485909HCID 178485909, compound

Product 1

HCID 772518791-(3,5-Dichlorophenyl)-3-[4-(4-fluorophenyl)-1-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-3-yl]-1,3-dimethylurea

Sources & evidence

ORD record
ord-f8bdc5d841f74281b70d5a674fc82833
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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