HRID112723

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

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-359e31c6786e4b5eb8e662b999929782
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

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