Dichloromethane → [4-Chloro-8-oxo-9-(2,2,2-trifluoroethyl)-3,6,7,10-tetrahydropyrazolo[3,4-i][2]benzazepin-7-yl] (4-nitrophenyl) carbonate

HRID 696968Notes

Reaction equation

HRID 696968 reaction equation
[C:35]([O:36][c:37]1[cH:38][cH:39][c:40]([N+:43](=[O:44])[O-:45])[cH:41][cH:42]1)(=[O:46])[Cl:47].[CH:26]([N:27]([CH:28]([CH3:29])[CH3:30])[CH2:31][CH3:32])([CH3:33])[CH3:34].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([c:6]3[cH:7][n:8][nH:9][c:10]13)[CH2:11][N:12]([CH2:18][C:19]([F:20])([F:21])[F:22])[C:13](=[O:17])[CH:14]([OH:16])[CH2:15]2.[Cl:23][CH2:24][Cl:25]>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([c:6]3[cH:7][n:8][nH:9][c:10]13)[CH2:11][N:12]([CH2:18][C:19]([F:20])([F:21])[F:22])[C:13](=[O:17])[CH:14]([O:16][C:35]([O:36][c:37]1[cH:38][cH:39][c:40]([N+:43](=[O:44])[O-:45])[cH:41][cH:42]1)=[O:46])[CH2:15]2

Participants

5

Reactant 4

HCID 6344DichloromethaneHCID 81531DiisopropylethylamineHCID 821294-Nitrophenyl chloroformateHCID 673190884-Chloro-7-hydroxy-9-(2,2,2-trifluoroethyl)-3,6,7,10-tetrahydropyrazolo[3,4-i][2]benzazepin-8-one

Product 1

HCID 67319329[4-Chloro-8-oxo-9-(2,2,2-trifluoroethyl)-3,6,7,10-tetrahydropyrazolo[3,4-i][2]benzazepin-7-yl] (4-nitrophenyl) carbonate

Sources & evidence

ORD record
ord-918c4da85ae7484dbcf1a87259681fef
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…