HRID310830

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID887

Methanol

CH4O

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID14293784

未命名化合物

HCID86601005

未命名化合物

PRODUCTS

生成物

结构：COc1cc2[nH]c3ncnc(N4CCN(C(=S)Nc5ccc(S(=O)(=O)Nc6ncccn6)cc5)CC4)c3c2cc1OC

HCID11353953

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b1de89fea8b7471d8052d60450df362b
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

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