HRID1565890

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID242

Benzoate

C7H5O2-

2 次

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID7187

Benzoyl peroxide

C14H10O4

HCID7964

Chlorobenzene

C6H5Cl

HCID27099

Copper(2+)

Cu+2

HCID11160338

未命名化合物

PRODUCTS

生成物

HCID9942773

10,11-Dihydro-10-hydroxy-5H-dibenz[b,f]azepine-5-carbonitrile

C15H12N2O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-93915897d5f14ec1b020a9033cdb1db6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:18]([O:19][O:20][C:21](=[O:22])[c:23]1[cH:24][cH:26][cH:27][cH:28][cH:29]1)(=[O:25])[c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[C:1](#[N:2])[N:3]1[c:4]2[c:5]([cH:14][cH:15][cH:16][cH:17]2)[CH2:6][CH2:7][c:8]2[c:9]1[cH:10][cH:11][cH:12][cH:13]2.[C:48]([O-:49])(=[O:50])[c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[C:58]([O-:59])(=[O:60])[c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[Cl:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[Cu+2:57].[Na+:40].[O-:36][C:37]([OH:38])=[O:39]>>[C:1](#[N:2])[N:3]1[c:4]2[c:5]([cH:14][cH:15][cH:16][cH:17]2)[CH:6]([OH:25])[CH2:7][c:8]2[c:9]1[cH:10][cH:11][cH:12][cH:13]2