HRID1226076

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID7901

Ethanamine, 2-chloro-N,N-dimethyl-

C4H10ClN

结构：CN(C)CCCOc1ccc(-c2cnc(Nc3ccccc3)s2)cc1

HCID11245147

未命名化合物

HCID58923508

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(OCCN(C)C)ccc1Nc1ncc(-c2ccsc2)s1

HCID58923524

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a5d56cd7ca9a447092581722b2622e26
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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