HRID1565209

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

结构：COCCOCN(c1c(-c2ccc(C(F)(F)F)cc2)c(OCCO)nn1C)S(=O)(=O)c1ccc(C(C)(C)C)cc1

HCID22281966

未命名化合物

PRODUCTS

生成物

结构：Cn1nc(OCCO)c(-c2ccc(C(F)(F)F)cc2)c1NS(=O)(=O)c1ccc(C(C)(C)C)cc1

HCID22281959

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-72ce05dec1144b7cb848aded38a9d768
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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