4-Fluoro-2-(trifluoromethyl)benzoyl chloride → [4-(3-Methyl-pyrazol-1-yl)-2-trifluoromethyl-phenyl]-(11H-5-oxa-4,10-diaza-dibenzo[a,d]cyclohepten-10-yl)-methanone

HRID 123604Notes

Reaction equation

HRID 123604 reaction equation
[CH3:59][c:60]1[n:61][nH:62][cH:63][cH:64]1.[F:16][C:17]([F:18])([F:19])[c:20]1[cH:21][c:22]([F:23])[cH:24][cH:25][c:26]1[C:27]([Cl:28])=[O:29].[F:30][c:31]1[cH:32][c:33]([C:54]([F:55])([F:56])[F:57])[c:34]([C:37](=[O:38])[N:39]2[CH2:40][c:41]3[c:42]([n:50][cH:51][cH:52][cH:53]3)[O:43][c:44]3[c:45]2[cH:46][cH:47][cH:48][cH:49]3)[cH:35][cH:36]1.[Na:58].[n:1]1[c:2]2[c:12]([cH:13][cH:14][cH:15]1)[CH2:11][NH:10][c:9]1[c:4]([cH:5][cH:6][cH:7][cH:8]1)[O:3]2>>[c:31]1(-[n:62]2[n:61][c:60]([CH3:59])[cH:64][cH:63]2)[cH:32][c:33]([C:54]([F:55])([F:56])[F:57])[c:34]([C:37](=[O:38])[N:39]2[CH2:40][c:41]3[c:42]([n:50][cH:51][cH:52][cH:53]3)[O:43][c:44]3[c:45]2[cH:46][cH:47][cH:48][cH:49]3)[cH:35][cH:36]1

Participants

6

Reactant 5

HCID 6056804-Fluoro-2-(trifluoromethyl)benzoyl chlorideHCID 5360545SodiumHCID 158959295,6-Dihydropyrido[2,3-b][1,5]benzoxazepineHCID 21254870(4-fluoro-2-trifluoromethyl-phenyl)-(11H-5-oxa-4,10-diaza-dibenzo[a,d]cyclohepten-10-yl)-methanoneHCID 178428694HCID 178428694, compound

Product 1

HCID 9868370[4-(3-Methyl-pyrazol-1-yl)-2-trifluoromethyl-phenyl]-(11H-5-oxa-4,10-diaza-dibenzo[a,d]cyclohepten-10-yl)-methanone

Sources & evidence

ORD record
ord-c0ed42037a3a4c4b9d5839d66e320bff
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…