HRID181457

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6058

Cysteamine

C2H7NS

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID8471

Triethylamine

C6H15N

结构：CC(=O)c1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1S(C)=O

HCID11069398

Acetoprole

C13H10Cl2F3N3O2S

PRODUCTS

生成物

结构：CS(=O)c1c(C2(C)NCCS2)nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1N

HCID22461197

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d6c346237be24ffb93cfa0063c6fcf4e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[ClH:25].[NH2:1][c:2]1[c:3]([S:22](=[O:23])[CH3:24])[c:4]([C:19]([CH3:20])=[O:21])[n:5][n:6]1-[c:7]1[c:8]([Cl:18])[cH:9][c:10]([C:14]([F:15])([F:16])[F:17])[cH:11][c:12]1[Cl:13].[NH2:26][CH2:27][CH2:28][SH:29].[OH2:48].[c:37]1([CH3:38])[cH:39][cH:40][c:41]([S:42]([OH:43])(=[O:44])=[O:45])[cH:46][cH:47]1.[cH:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[NH2:1][c:2]1[c:3]([S:22](=[O:23])[CH3:24])[c:4]([C:19]2([CH3:20])[NH:26][CH2:27][CH2:28][S:29]2)[n:5][n:6]1-[c:7]1[c:8]([Cl:18])[cH:9][c:10]([C:14]([F:15])([F:16])[F:17])[cH:11][c:12]1[Cl:13]