HRID666632

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID76833

Benzene, 1-chloro-2-isocyanato-

C7H4ClNO

结构：CCOC(=O)C1(COc2ccc(-c3ccc(F)cc3)cc2)CCNC1

HCID59322195

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1(COc2ccc(-c3ccc(F)cc3)cc2)CCN(C(=O)Nc2ccccc2Cl)C1

HCID59322171

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a8437fd0bb784e8fb78dea96c91f45d3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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