HRID814804

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID7397

p-Toluenesulfonyl chloride

C7H7ClO2S

HCID8471

Triethylamine

C6H15N

HCID13244797

未命名化合物

结构：O=C(O)C(=NOC(F)F)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

HCID53666802

未命名化合物

PRODUCTS

生成物

结构：O=C(NC1C(=O)NC1CF)C(=NOC(F)F)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

HCID54235595

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-44dc4f11f7594ab8974eb97f7ddc0374
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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