HRID2337729

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID702

Ethanol

C2H6O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID14273

2-Pyridinecarboxaldehyde

C6H5NO

HCID425305

STK256619

C13H16NOS+

HCID59331500

未命名化合物

PRODUCTS

生成物

结构：CSc1ccc(C(C)(CC2CCOCC2)C(=O)CCC(=O)c2ccccn2)nc1

HCID59331451

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-04cd354d42b54a498a26ba158be3240f
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

[CH2:39]([n+:40]1[c:41]([CH3:42])[c:43]([CH2:44][CH2:45][OH:46])[s:47][cH:48]1)[c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[CH3:1][C:2]([C:3]([CH:4]=[CH2:5])=[O:6])([CH2:7][CH:8]1[CH2:9][CH2:10][O:11][CH2:12][CH2:13]1)[c:14]1[n:15][cH:16][c:17]([S:20][CH3:21])[cH:18][cH:19]1.[CH3:22][CH2:23][OH:24].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[CH3:61][CH2:62][N:63]([CH2:64][CH3:65])[CH2:66][CH3:67].[Cl-:38].[O:25]1[CH2:26][CH2:27][CH2:28][CH2:29]1.[n:30]1[c:31]([CH:36]=[O:37])[cH:32][cH:33][cH:34][cH:35]1>>[CH3:1][C:2]([C:3]([CH2:4][CH2:5][C:36]([c:31]1[n:30][cH:35][cH:34][cH:33][cH:32]1)=[O:37])=[O:6])([CH2:7][CH:8]1[CH2:9][CH2:10][O:11][CH2:12][CH2:13]1)[c:14]1[n:15][cH:16][c:17]([S:20][CH3:21])[cH:18][cH:19]1