Dichloromethane → 4-(4-Oxo-8-thiomorpholin-4-yl-7-trifluoromethyl-4,5-dihydro-3H-benzo[b][1,4]diazepin-2-yl)-pyridine-2-carbonitrile

HRID 97105Notes

Reaction equation

HRID 97105 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][c:8]1[c:9]([NH:24][C:25]([CH2:26][C:27](=[O:5])[c:29]2[cH:30][c:31]([C:35]#[N:36])[n:32][cH:33][cH:34]2)=[O:37])[cH:10][c:11]([C:20]([F:21])([F:22])[F:23])[c:12]([N:14]2[CH2:15][CH2:16][S:17][CH2:18][CH2:19]2)[cH:13]1)([CH3:6])([CH3:28])[CH3:38].[Cl:46][CH2:47][Cl:48].[F:39][C:40]([F:41])([F:42])[C:43]([OH:44])=[O:45]>>[N:7]1=[C:27]([c:29]2[cH:30][c:31]([C:35]#[N:36])[n:32][cH:33][cH:34]2)[CH2:26][C:25](=[O:37])[NH:24][c:9]2[c:8]1[cH:13][c:12]([N:14]1[CH2:15][CH2:16][S:17][CH2:18][CH2:19]1)[c:11]([C:20]([F:21])([F:22])[F:23])[cH:10]2

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 11455616{2-[3-(2-Cyano-pyridin-4-yl)-3-oxo-propionylamino]-5-thiomorpholin-4-yl-4-trifluoromethyl-phenyl}-carbamic acid tert.-butyl ester

Product 1

HCID 98674044-(4-Oxo-8-thiomorpholin-4-yl-7-trifluoromethyl-4,5-dihydro-3H-benzo[b][1,4]diazepin-2-yl)-pyridine-2-carbonitrile

Sources & evidence

ORD record
ord-bb66ecdc059445179d44e0751b67f106
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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