Dimethyl Sulfoxide → [6-{[4-(Trifluoromethoxy)phenyl]sulfonyl}-2-(trifluoromethyl)-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-8-yl]acetonitrile

HRID 1555259Notes

Reaction equation

HRID 1555259 reaction equation
[C:3](#[N:4])[CH2:5][C:6]([O:7][CH2:8][CH3:9])=[O:10].[CH3:47][S:48]([CH3:49])=[O:50].[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[Cu:51][I:52].[H-:2].[I:11][c:12]1[cH:13][cH:14][c:15]2[c:16]([cH:44]1)[N:17]([S:30](=[O:31])(=[O:32])[c:33]1[cH:34][cH:35][c:36]([O:39][C:40]([F:41])([F:42])[F:43])[cH:37][cH:38]1)[CH2:18][c:19]1[c:20]([n:22][c:23]([C:26]([F:27])([F:28])[F:29])[cH:24][cH:25]1)[NH:21]2.[Na+:1].[Na+:46].[OH-:45].[OH2:53]>>[C:3](#[N:4])[CH2:5][c:12]1[cH:13][cH:14][c:15]2[c:16]([cH:44]1)[N:17]([S:30](=[O:31])(=[O:32])[c:33]1[cH:34][cH:35][c:36]([O:39][C:40]([F:41])([F:42])[F:43])[cH:37][cH:38]1)[CH2:18][c:19]1[c:20]([n:22][c:23]([C:26]([F:27])([F:28])[F:29])[cH:24][cH:25]1)[NH:21]2

Participants

10

Reactant 9

HCID 679Dimethyl SulfoxideHCID 923Sodium ion2×HCID 961HydroxideHCID 962WaterHCID 7764Ethyl cyanoacetateHCID 8857Ethyl AcetateHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 166653HydrideHCID 596187318-Iodo-6-{[4-(trifluoromethoxy)phenyl]sulfonyl}-2-(trifluoromethyl)-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepine

Product 1

HCID 86649045[6-{[4-(Trifluoromethoxy)phenyl]sulfonyl}-2-(trifluoromethyl)-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-8-yl]acetonitrile

Sources & evidence

ORD record
ord-08b2c097cd0d40d79fdd3a068ebd144e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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