HRID312725

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID11984

1H-Benzimidazole, 2-methyl-

C8H8N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID522734

3-Chloro-2-methylbenzenesulfonyl chloride

C7H6Cl2O2S

结构：Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc2c(c1)nc(C)n2S(=O)(=O)c1cccc(Cl)c1C

HCID59018199

未命名化合物

结构：Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc2nc(C)n(S(=O)(=O)c3cccc(Cl)c3C)c2c1

HCID66744509

未命名化合物

PRODUCTS

生成物

结构：Cc1nc2cc(NS(=O)(=O)c3cccc(Cl)c3C)ccc2[nH]1

HCID178432288

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-580a0240eaba40769d81c26dbc019934
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:99]1[O:100][CH2:101][CH2:102][CH2:103]1.[CH3:104][OH:105].[CH3:107][S:108]([CH3:109])=[O:110].[CH3:13][c:14]1[nH:15][c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]2[n:22]1.[Cl:1][c:2]1[c:3]([CH3:4])[c:5]([S:6]([Cl:7])(=[O:8])=[O:9])[cH:10][cH:11][cH:12]1.[Cl:23][c:24]1[c:25]([CH3:55])[c:26]([S:30](=[O:31])(=[O:32])[NH:33][c:34]2[cH:35][c:36]3[c:37]([n:38]([S:42]([c:43]4[cH:44][cH:45][cH:46][c:47]([Cl:48])[c:49]4[CH3:50])(=[O:51])=[O:52])[c:39]([CH3:41])[n:40]3)[cH:53][cH:54]2)[cH:27][cH:28][cH:29]1.[Cl:56][c:57]1[c:58]([CH3:59])[c:60]([S:61]([NH:62][c:63]2[cH:64][cH:65][c:66]3[n:67][c:68]([CH3:69])[n:70]([S:71]([c:72]4[cH:73][cH:74][cH:75][c:76]([Cl:77])[c:78]4[CH3:79])(=[O:80])=[O:81])[c:82]3[cH:83]2)(=[O:84])=[O:85])[cH:86][cH:87][cH:88]1.[OH2:106].[OH:89][n:90]1[c:91]2[cH:92][cH:93][cH:94][cH:95][c:96]2[n:97][n:98]1>>[Cl:23][c:24]1[c:25]([CH3:55])[c:26]([S:30](=[O:31])(=[O:32])[NH:33][c:34]2[cH:35][c:36]3[c:37]([nH:38][c:39]([CH3:41])[n:40]3)[cH:53][cH:54]2)[cH:27][cH:28][cH:29]1