HRID210998

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID79401

Benzenesulfonyl chloride, 2,5-dichloro-

C6H3Cl3O2S

结构：OC(C#Cc1ccccc1)(c1ccc(NC2CCCC2)cc1)C(F)(F)F

HCID22042588

未命名化合物

PRODUCTS

生成物

结构：O=S(=O)(c1cc(Cl)ccc1Cl)N(c1ccc(C(O)(C#Cc2ccccc2)C(F)(F)F)cc1)C1CCCC1

HCID22042573

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1187317d87ae45b1bc1653c53c86e665
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

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