Sodium ion → [4-(4-Methyl-pyrazol-1-yl)-2-trifluoromethyl-phenyl]-(5H,11H-pyrrolo[2,1-c][1,4]benzodiazepin-10-yl)-methanone

HRID 307477Notes

Reaction equation

HRID 307477 reaction equation
[CH3:30][c:31]1[cH:32][n:33][nH:34][cH:35]1.[CH3:36][N:37]([CH3:38])[CH:39]=[O:40].[F:1][c:2]1[cH:3][c:4]([C:24]([F:25])([F:26])[F:27])[c:5]([C:8](=[O:9])[N:10]2[CH2:11][c:12]3[n:13]([cH:21][cH:22][cH:23]3)[CH2:14][c:15]3[c:16]2[cH:17][cH:18][cH:19][cH:20]3)[cH:6][cH:7]1.[H-:28].[Na+:29]>>[c:2]1(-[n:34]2[n:33][cH:32][c:31]([CH3:30])[cH:35]2)[cH:3][c:4]([C:24]([F:25])([F:26])[F:27])[c:5]([C:8](=[O:9])[N:10]2[CH2:11][c:12]3[n:13]([cH:21][cH:22][cH:23]3)[CH2:14][c:15]3[c:16]2[cH:17][cH:18][cH:19][cH:20]3)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 34064-MethylpyrazoleHCID 6228DimethylformamideHCID 166653HydrideHCID 9799697HCID 9799697, compound

Product 1

HCID 9910880[4-(4-Methyl-pyrazol-1-yl)-2-trifluoromethyl-phenyl]-(5H,11H-pyrrolo[2,1-c][1,4]benzodiazepin-10-yl)-methanone

Sources & evidence

ORD record
ord-9c9312e0d15a4bf9bafad1a72bec97c5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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