Dichloromethane → {4-[1-(2-Chloro-4-fluoro-benzoyl)-1H-pyrazol-3-yl]-phenyl}-(5H,11H-pyrrolo[2,1-c][1,4]benzodiazepin-10-yl}methanone

HRID 207749Notes

Reaction equation

HRID 207749 reaction equation
[CH:39]([NH:40][CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[Cl:6])[cH:7][cH:8][c:9]([F:11])[cH:10]1.[Cl:46][CH2:47][Cl:48].[nH:12]1[n:13][c:14](-[c:17]2[cH:18][cH:19][c:20]([C:23](=[O:24])[N:25]3[CH2:26][c:27]4[n:28]([cH:36][cH:37][cH:38]4)[CH2:29][c:30]4[c:31]3[cH:32][cH:33][cH:34][cH:35]4)[cH:21][cH:22]2)[cH:15][cH:16]1>>[Cl:1][c:2]1[c:3]([C:4](=[O:5])[n:12]2[n:13][c:14](-[c:17]3[cH:18][cH:19][c:20]([C:23](=[O:24])[N:25]4[CH2:26][c:27]5[n:28]([cH:36][cH:37][cH:38]5)[CH2:29][c:30]5[c:31]4[cH:32][cH:33][cH:34][cH:35]5)[cH:21][cH:22]3)[cH:15][cH:16]2)[cH:7][cH:8][c:9]([F:11])[cH:10]1

Participants

5

Reactant 4

HCID 6344DichloromethaneHCID 7912DiisopropylamineHCID 27365462-Chloro-4-fluorobenzoyl chlorideHCID 178519422HCID 178519422, compound

Product 1

HCID 9870998{4-[1-(2-Chloro-4-fluoro-benzoyl)-1H-pyrazol-3-yl]-phenyl}-(5H,11H-pyrrolo[2,1-c][1,4]benzodiazepin-10-yl}methanone

Sources & evidence

ORD record
ord-0b46d1213b5e454aa544fd14af18ad2b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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