HRID1133809

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

结构：CCC(C)(C)Cc1cn(S(=O)(=O)N(C)C)c(C(O)C2(c3ccc(-c4ccccn4)cc3)SCCCS2)n1

HCID86638515

未命名化合物

结构：O=C(O[IH2](OC(=O)C(F)(F)F)c1ccccc1)C(F)(F)F

HCID178526050

未命名化合物

PRODUCTS

生成物

结构：CCC(C)(C)Cc1cn(S(=O)(=O)N(C)C)c(C(O)C(=O)c2ccc(-c3ccccn3)cc2)n1

HCID68668285

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f9e537336a724975a8fcec4efebc735d
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

[C:60](#[N:61])[CH3:62].[CH3:22][C:23]([CH2:24][c:25]1[n:26][c:27]([CH:36]([C:37]2([c:43]3[cH:44][cH:45][c:46](-[c:49]4[n:50][cH:51][cH:52][cH:53][cH:54]4)[cH:47][cH:48]3)[S:38][CH2:39][CH2:40][CH2:41][S:42]2)[OH:55])[n:28]([S:30](=[O:31])(=[O:32])[N:33]([CH3:34])[CH3:35])[cH:29]1)([CH2:56][CH3:57])[CH3:58].[F:1][C:2]([F:3])([F:5])[C:6](=[O:4])[O:7][IH2:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[O:15][C:16](=[O:17])[C:18]([F:19])([F:20])[F:21].[OH2:59]>>[O:4]=[C:37]([CH:36]([c:27]1[n:26][c:25]([CH2:24][C:23]([CH3:22])([CH2:56][CH3:57])[CH3:58])[cH:29][n:28]1[S:30](=[O:31])(=[O:32])[N:33]([CH3:34])[CH3:35])[OH:55])[c:43]1[cH:44][cH:45][c:46](-[c:49]2[n:50][cH:51][cH:52][cH:53][cH:54]2)[cH:47][cH:48]1