Dimethyl Sulfide → 4-[[3-(3-Chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)pyrrolidine-2-carbonyl]amino]-2,5-difluorobenzoic acid

HRID 694049Notes

Reaction equation

HRID 694049 reaction equation
[CH2:47]([Cl:48])[Cl:49].[CH3:44][S:45][CH3:46].[Cl:1][c:2]1[c:3]([F:43])[c:4]([CH:8]2[CH:9]([C:28](=[O:29])[NH:30][c:31]3[cH:32][c:33]([F:42])[c:34]([C:35](=[O:36])[O:37][CH3:38])[cH:39][c:40]3[F:41])[NH:10][CH:11]([CH2:23][C:24]([CH3:25])([CH3:26])[CH3:27])[C:12]2([C:13]#[N:14])[c:15]2[c:16]([F:22])[cH:17][c:18]([Cl:21])[cH:19][cH:20]2)[cH:5][cH:6][cH:7]1>>[Cl:1][c:2]1[c:3]([F:43])[c:4]([CH:8]2[CH:9]([C:28](=[O:29])[NH:30][c:31]3[cH:32][c:33]([F:42])[c:34]([C:35](=[O:36])[OH:37])[cH:39][c:40]3[F:41])[NH:10][CH:11]([CH2:23][C:24]([CH3:25])([CH3:26])[CH3:27])[C:12]2([C:13]#[N:14])[c:15]2[c:16]([F:22])[cH:17][c:18]([Cl:21])[cH:19][cH:20]2)[cH:5][cH:6][cH:7]1

Participants

4

Reactant 3

HCID 1068Dimethyl SulfideHCID 6344DichloromethaneHCID 178498342HCID 178498342, compound

Product 1

HCID 760217524-[[3-(3-Chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)pyrrolidine-2-carbonyl]amino]-2,5-difluorobenzoic acid

Sources & evidence

ORD record
ord-b1b0232dcee04fd5adccba1b31736b53
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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