HRID141884

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

结构：CC(C(=O)O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID11522058

未命名化合物

HCID18185400

未命名化合物

PRODUCTS

生成物

结构：CC(C(=O)N(C)c1ccc(Cl)cc1Sc1ccccc1Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID9807651

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-71468c0f2526470dbcbb1116250c99bc
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

[CH:37]1([N:38]=[C:39]=[N:40][CH:41]2[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]2)[CH2:47][CH2:48][CH2:49][CH2:50][CH2:51]1.[Cl:1][c:2]1[cH:3][c:4]([S:10][c:11]2[c:12]([Cl:17])[cH:13][cH:14][cH:15][cH:16]2)[c:5]([NH:8][CH3:9])[cH:6][cH:7]1.[Cl:52][CH2:53][CH2:54][Cl:55].[F:18][C:19]([c:20]1[cH:21][c:22]([CH:30]([C:31](=[O:32])[OH:33])[CH3:34])[cH:23][c:24]([C:26]([F:27])([F:28])[F:29])[cH:25]1)([F:35])[F:36]>>[Cl:1][c:2]1[cH:3][c:4]([S:10][c:11]2[c:12]([Cl:17])[cH:13][cH:14][cH:15][cH:16]2)[c:5]([N:8]([CH3:9])[C:31]([CH:30]([c:22]2[cH:21][c:20]([C:19]([F:18])([F:35])[F:36])[cH:25][c:24]([C:26]([F:27])([F:28])[F:29])[cH:23]2)[CH3:34])=[O:33])[cH:6][cH:7]1