HRID281165

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID10426

Carbonochloridic acid, trichloromethyl ester

C2Cl4O2

HCID31275

1,4-Dioxane

C4H8O2

HCID105034

Isocyanate

CNO-

结构：Cc1ccc(S(=O)(=O)c2ccc(C(F)(F)F)cc2N)cc1

HCID2768165

未命名化合物

结构：COC(=O)C(N)Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1

HCID22660085

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)Nc1cc(C(F)(F)F)ccc1S(=O)(=O)c1ccc(C)cc1

HCID69429936

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-28095e3f3ab8446d98bc395273ed9c22
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

[CH3:34][O:35][C:36]([CH:37]([CH2:38][c:39]1[cH:40][cH:41][c:42]([NH:45][C:46]([c:47]2[c:48]([Cl:54])[cH:49][cH:50][cH:51][c:52]2[Cl:53])=[O:55])[cH:43][cH:44]1)[NH2:56])=[O:57].[CH3:58][CH2:59][N:60]([CH2:61][CH3:62])[CH2:63][CH3:64].[Cl:71][CH2:72][Cl:73].[ClH:33].[N-:30]=[C:31]=[O:32].[O:22]=[C:23]([Cl:24])[O:25][C:26]([Cl:27])([Cl:28])[Cl:29].[O:65]1[CH2:66][CH2:67][O:68][CH2:69][CH2:70]1.[c:1]1([CH3:21])[cH:2][cH:3][c:4]([S:7](=[O:8])(=[O:9])[c:10]2[c:11]([NH2:20])[cH:12][c:13]([C:16]([F:17])([F:18])[F:19])[cH:14][cH:15]2)[cH:5][cH:6]1>>[c:1]1([CH3:21])[cH:2][cH:3][c:4]([S:7](=[O:8])(=[O:9])[c:10]2[c:11]([NH:20][C:23](=[O:22])[NH:56][CH:37]([C:36]([O:35][CH3:34])=[O:57])[CH2:38][c:39]3[cH:40][cH:41][c:42]([NH:45][C:46]([c:47]4[c:48]([Cl:54])[cH:49][cH:50][cH:51][c:52]4[Cl:53])=[O:55])[cH:43][cH:44]3)[cH:12][c:13]([C:16]([F:17])([F:18])[F:19])[cH:14][cH:15]2)[cH:5][cH:6]1