Acetonitrile → HCID 69655583, compound

HRID 666762Notes

Reaction equation

HRID 666762 reaction equation
[Br:21][CH2:22][c:23]1[cH:24][cH:25][c:26]([O:29][C:30]([F:31])([F:32])[F:33])[cH:27][cH:28]1.[CH3:34][C:35]#[N:36].[CH3:37][CH2:38][O:39][C:40]([CH3:41])=[O:42].[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[NH:11][CH:12]2[CH:13]([C:18](=[O:19])[NH2:20])[CH2:14][CH2:15][CH2:16][CH2:17]2)[cH:6][cH:7]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[N:11]([CH:12]2[CH:13]([C:18](=[O:19])[NH2:20])[CH2:14][CH2:15][CH2:16][CH2:17]2)[CH2:22][c:23]2[cH:24][cH:25][c:26]([O:29][C:30]([F:31])([F:32])[F:33])[cH:27][cH:28]2)[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 1427851-(Bromomethyl)-4-(trifluoromethoxy)benzeneHCID 696562512-[(4-Chlorophenyl)sulfonylamino]cyclohexane-1-carboxamide

Product 1

HCID 69655583HCID 69655583, compound

Sources & evidence

ORD record
ord-ee2af166a16843bcac9bea7824ac52e6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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