HRID86836

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID962

Water

H2O

HCID6397

Chlorotrimethylsilane

C3H9ClSi

HCID8857

Ethyl acetate

C4H8O2

HCID66038

Benzenamine, 4-(methylthio)-

C7H9NS

结构：Cc1ccc(S(=O)(=O)n2ccc3c(Nc4ccc5cn[nH]c5c4)nc(Cl)nc32)cc1

HCID86628035

未命名化合物

PRODUCTS

生成物

结构：CSc1ccc(Nc2nc(Nc3ccc4cn[nH]c4c3)c3ccn(S(=O)(=O)c4ccc(C)cc4)c3n2)cc1

HCID57585782

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6a376c0dfa7b4010a7b36c7c320b7e08
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:46]([OH:47])[CH2:48][CH2:49][CH3:50].[CH3:31][S:32][c:33]1[cH:34][cH:35][c:36]([NH2:37])[cH:38][cH:39]1.[CH3:40][Si:41]([Cl:42])([CH3:43])[CH3:44].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[Cl:1][c:2]1[n:3][c:4]([NH:21][c:22]2[cH:23][cH:24][c:25]3[cH:26][n:27][nH:28][c:29]3[cH:30]2)[c:5]2[c:6]([n:7]1)[n:8]([S:11](=[O:12])(=[O:13])[c:14]1[cH:15][cH:16][c:17]([CH3:18])[cH:19][cH:20]1)[cH:9][cH:10]2.[OH2:45]>>[c:2]1([NH:37][c:36]2[cH:35][cH:34][c:33]([S:32][CH3:31])[cH:39][cH:38]2)[n:3][c:4]([NH:21][c:22]2[cH:23][cH:24][c:25]3[cH:26][n:27][nH:28][c:29]3[cH:30]2)[c:5]2[c:6]([n:7]1)[n:8]([S:11](=[O:12])(=[O:13])[c:14]1[cH:15][cH:16][c:17]([CH3:18])[cH:19][cH:20]1)[cH:9][cH:10]2