HRID836142

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID887

Methanol

CH4O

HCID9483

3-(Trifluoromethyl)phenyl isocyanate

C8H4F3NO

HCID81531

Diisopropylethylamine

C8H19N

结构：CS(=O)(=O)c1ccc(-c2ccn3c(-c4ccc(CN)cc4)cnc3c2)cc1

HCID68546107

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)c1ccc(-c2ccn3c(-c4ccc(CNC(=O)Nc5cccc(C(F)(F)F)c5)cc4)cnc3c2)cc1

HCID57863461

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ef84dba61c55419186587b4dfba29617
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

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