Dimethyl Sulfoxide → 3-Chloro-N-[1-(2-chlorophenyl)-2-[1-(2,2,2-trifluoroethyl)-piperidin-4-ylmethoxy]ethyl]-1H-indole-6-carboxamide

HRID 183593

Reaction equation

HRID 183593 reaction equation
[C:31](=[O:32])([O-:33])[O-:34].[CH3:51][S:52]([CH3:53])=[O:54].[Cl:1][c:2]1[cH:3][nH:4][c:5]2[cH:6][c:7]([C:11](=[O:12])[NH:13][CH:14]([CH2:15][O:16][CH2:17][CH:18]3[CH2:19][CH2:20][NH:21][CH2:22][CH2:23]3)[c:24]3[c:25]([Cl:30])[cH:26][cH:27][cH:28][cH:29]3)[cH:8][cH:9][c:10]12.[F:37][C:38]([F:39])([F:40])[S:41]([O:42][CH2:43][C:44]([F:45])([F:46])[F:47])(=[O:48])=[O:49].[K+:35].[K+:36].[OH2:50]>>[Cl:1][c:2]1[cH:3][nH:4][c:5]2[cH:6][c:7]([C:11](=[O:12])[NH:13][CH:14]([CH2:15][O:16][CH2:17][CH:18]3[CH2:19][CH2:20][N:21]([CH2:43][C:44]([F:45])([F:46])[F:47])[CH2:22][CH2:23]3)[c:24]3[c:25]([Cl:30])[cH:26][cH:27][cH:28][cH:29]3)[cH:8][cH:9][c:10]12

Participants

7

Reactant 6

HCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 962WaterHCID 19660Carbonate IonHCID 803662,2,2-Trifluoroethyl trifluoromethanesulfonateHCID 693078883-chloro-N-[1-(2-chlorophenyl)-2-(piperidin-4-ylmethoxy)ethyl]-1H-indole-6-carboxamide

Product 1

HCID 693097413-Chloro-N-[1-(2-chlorophenyl)-2-[1-(2,2,2-trifluoroethyl)-piperidin-4-ylmethoxy]ethyl]-1H-indole-6-carboxamide

Sources & evidence

ORD record
ord-29954970802445e5a29789272880834f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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