HRID113682

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID7368

Benzotrifluoride

C7H5F3

HCID24648

Sulfuryl chloride

Cl2O2S

HCID81531

Diisopropylethylamine

C8H19N

HCID58296110

未命名化合物

PRODUCTS

生成物

结构：O=C(NC1CC1)c1cccc(C2=CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)n1

HCID44628831

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f122561af2a04a3680a9618ba10fb069
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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