HRID98589

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID5943

Carbon tetrachloride

CCl4

HCID6212

Chloroform

CHCl3

HCID6547

Azobisisobutyronitrile

C8H12N4

HCID31398

N-Chlorosuccinimide

C4H4ClNO2

结构：CC(C)(C)OC(=O)N1CCN(c2ccc3c(c2)C(=O)NCC3)CC1

HCID10735270

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2ccc3c(c2Cl)C(=O)NCC3)CC1

HCID22180271

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e27fac64b53f48a8bc22e59e58d39a07
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[cH:15][cH:16][c:17]3[c:22]([cH:23]2)[C:21](=[O:24])[NH:20][CH2:19][CH2:18]3)[CH2:12][CH2:13]1.[C:49]([Cl:50])([Cl:51])([Cl:52])[Cl:53].[CH:45]([Cl:46])([Cl:47])[Cl:48].[Cl:25][N:26]1[C:27](=[O:28])[CH2:29][CH2:30][C:31]1=[O:32].[N:33]#[C:34][C:35]([N:36]=[N:37][C:38]([C:39]#[N:40])([CH3:41])[CH3:42])([CH3:43])[CH3:44]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[cH:15][cH:16][c:17]3[c:22]([c:23]2[Cl:25])[C:21](=[O:24])[NH:20][CH2:19][CH2:18]3)[CH2:12][CH2:13]1