HRID193059

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID10928

Ethyl chloroformate

C3H5ClO2

结构：COc1ccc(C(=O)N(C)C2CN(C(=O)C3CCNCC3)CC2c2ccc(Cl)c(Cl)c2)cc1C(F)(F)F

HCID67025720

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)N1CCC(C(=O)N2CC(c3ccc(Cl)c(Cl)c3)C(N(C)C(=O)c3ccc(OC)c(C(F)(F)F)c3)C2)CC1

HCID68956018

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-67f54a9e323540f0855bc7b4c6ef3ba8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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