HRID1122348

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID82408

Isopropyl sulfonyl chloride

C3H7ClO2S

结构：CC(O)(c1ccc(N2CCN(S(=O)(=O)c3cccs3)CC2CN)cc1)C(F)(F)F

HCID77148386

未命名化合物

PRODUCTS

生成物

结构：CC(C)S(=O)(=O)NCC1CN(S(=O)(=O)c2cccs2)CCN1c1ccc(C(C)(O)C(F)(F)F)cc1

HCID76462500

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9399e1bd7a9d4ea2bc29e8de65c369ec
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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