HRID2350613

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

2 次

HCID8471

Triethylamine

C6H15N

HCID96951

2-Acetamido-4-methylthiazole-5-sulphonyl chloride

C6H7ClN2O3S2

结构：COc1ccc2[nH]c(S(=O)Cc3ncc(C)c(OC)c3C)nc2c1

HCID178488149

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2c(c1)nc(S(=O)Cc1ncc(C)c(OC)c1C)n2S(=O)(=O)c1sc(NC(C)=O)nc1C

HCID10218459

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0e99a4d01664450b9a94a4325c454fea
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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