Dichloromethane → [4-chloro-8-oxo-9-(2,2,2-trifluoroethyl)-3,6,7,10-tetrahydropyrazolo[3,4-i][2]benzazepin-7-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate

HRID 695716Notes

Reaction equation

HRID 695716 reaction equation
[C:1]([O:2][CH:3]1[CH2:4][c:5]2[c:6]([c:7]3[cH:8][n:9][nH:10][c:11]3[c:12]([Cl:14])[cH:13]2)[CH2:15][N:16]([CH2:19][C:20]([F:21])([F:22])[F:23])[C:17]1=[O:18])([O:24][c:25]1[cH:26][cH:27][c:28]([N+:29]([O-:30])=[O:31])[cH:32][cH:33]1)=[O:34].[Cl:53][CH2:54][Cl:55].[NH:35]1[CH2:36][CH2:37][CH:38]([N:41]2[C:42](=[O:52])[NH:43][c:44]3[c:45]([cH:48][cH:49][cH:50][cH:51]3)[CH2:46][CH2:47]2)[CH2:39][CH2:40]1>>[C:1]([O:2][CH:3]1[CH2:4][c:5]2[c:6]([c:7]3[cH:8][n:9][nH:10][c:11]3[c:12]([Cl:14])[cH:13]2)[CH2:15][N:16]([CH2:19][C:20]([F:21])([F:22])[F:23])[C:17]1=[O:18])(=[O:34])[N:35]1[CH2:36][CH2:37][CH:38]([N:41]2[C:42](=[O:52])[NH:43][c:44]3[c:45]([cH:48][cH:49][cH:50][cH:51]3)[CH2:46][CH2:47]2)[CH2:39][CH2:40]1

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 113795873-(Piperidin-4-yl)-4,5-dihydro-1H-benzo[d][1,3]diazepin-2(3H)-oneHCID 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

Product 1

HCID 68963713[4-chloro-8-oxo-9-(2,2,2-trifluoroethyl)-3,6,7,10-tetrahydropyrazolo[3,4-i][2]benzazepin-7-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate

Sources & evidence

ORD record
ord-f1fcde5f0ff4468aa417aa9d93baec55
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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