HRID1129533

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1ccc(S(=O)(=O)n2cc(-c3nc(S(C)(=O)=O)ncc3C#N)c3cc(C(F)(F)F)cnc32)cc1

HCID59414325

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)n2cc(-c3nc(O)ncc3C#N)c3cc(C(F)(F)F)cnc32)cc1

HCID178427354

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e40f0f434a404ef88beddb1881a03303
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

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