HRID287435

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID94460

3,5-Dichlorophenyl isocyanate

C7H3Cl2NO

结构：CNCC1(c2ccc(I)cc2)CCN(C(=O)OC(C)(C)C)CC1

HCID20779472

未命名化合物

PRODUCTS

生成物

结构：CN(CC1(c2ccc(I)cc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)Nc1cc(Cl)cc(Cl)c1

HCID68534877

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bbb69c3e5e834195bed6686ab70e453b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]([CH2:14][NH:15][CH3:16])([c:17]2[cH:18][cH:19][c:20]([I:23])[cH:21][cH:22]2)[CH2:12][CH2:13]1.[Cl:24][c:25]1[cH:26][c:27]([N:32]=[C:33]=[O:34])[cH:28][c:29]([Cl:31])[cH:30]1.[Cl:35][CH2:36][Cl:37]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]([CH2:14][N:15]([CH3:16])[C:33]([NH:32][c:27]2[cH:26][c:25]([Cl:24])[cH:30][c:29]([Cl:31])[cH:28]2)=[O:34])([c:17]2[cH:18][cH:19][c:20]([I:23])[cH:21][cH:22]2)[CH2:12][CH2:13]1