Chloride → 4-[3-(5-Cyclopropylaminomethyl-[1,2,3]triazol-1-yl)-phenyl]-7-methyl-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one

HRID 687774Notes

Reaction equation

HRID 687774 reaction equation
[CH:36]1([NH2:39])[CH2:37][CH2:38]1.[Cl-:35].[Cl:40][CH2:41][Cl:42].[O:43]=[CH:44][N:45]([CH3:46])[CH3:47].[OH:1][CH2:2][c:3]1[cH:4][n:5][n:6][n:7]1-[c:8]1[cH:9][c:10]([C:14]2=[N:15][c:16]3[c:17]([cH:22][c:23]([C:27]([F:28])([F:29])[F:30])[c:24]([CH3:26])[cH:25]3)[NH:18][C:19](=[O:21])[CH2:20]2)[cH:11][cH:12][cH:13]1.[S:31]([Cl:32])([Cl:33])=[O:34]>>[CH2:2]([c:3]1[cH:4][n:5][n:6][n:7]1-[c:8]1[cH:9][c:10]([C:14]2=[N:15][c:16]3[c:17]([cH:22][c:23]([C:27]([F:28])([F:29])[F:30])[c:24]([CH3:26])[cH:25]3)[NH:18][C:19](=[O:21])[CH2:20]2)[cH:11][cH:12][cH:13]1)[NH:39][CH:36]1[CH2:37][CH2:38]1

Participants

7

Reactant 6

HCID 312ChlorideHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 24386Thionyl ChlorideHCID 69828CyclopropylamineHCID 18548785HCID 18548785, compound

Product 1

HCID 185488644-[3-(5-Cyclopropylaminomethyl-[1,2,3]triazol-1-yl)-phenyl]-7-methyl-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one

Sources & evidence

ORD record
ord-02e6002b8bcf44aaa545eba18f4eaf78
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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