HRID160920

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6371

Phosgene

CCl2O

HCID8471

Triethylamine

C6H15N

结构：CCOc1cc(S(=O)(=O)N2CCCC2)ccc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1

HCID68685996

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(S(=O)(=O)N2CCCC2)ccc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)Cl

HCID72455765

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3b33813f652249e6ae2b9a684d455d03
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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