HRID1574706

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID11474

Piconol

C6H7NO

HCID21885

2-Dimethylaminopyridine

C7H10N2

HCID2733703

2,4,6-Trichlorobenzoyl chloride

C7H2Cl4O

HCID22665572

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CNc2nc(SC)ncc2C(=O)OCc2ccccn2)cc1Cl

HCID17848343

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1e8c619d80c741afa19137714975210b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:1][S:2][c:3]1[n:4][cH:5][c:6]([C:20](=[O:21])[OH:22])[c:7]([NH:9][CH2:10][c:11]2[cH:12][c:13]([Cl:19])[c:14]([O:17][CH3:18])[cH:15][cH:16]2)[n:8]1.[CH3:35][N:36]([c:37]1[cH:38][cH:39][cH:40][cH:41][n:42]1)[CH3:43].[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[CH3:64][CH2:65][N:66]([CH2:67][CH3:68])[CH2:69][CH3:70].[Cl:23][c:24]1[cH:25][c:26]([Cl:27])[cH:28][c:29]([Cl:30])[c:31]1[C:32]([Cl:33])=[O:34].[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1.[OH2:57].[n:44]1[c:45]([CH2:50][OH:51])[cH:46][cH:47][cH:48][cH:49]1>>[CH3:1][S:2][c:3]1[n:4][cH:5][c:6]([C:20](=[O:21])[O:22][CH2:50][c:45]2[n:44][cH:49][cH:48][cH:47][cH:46]2)[c:7]([NH:9][CH2:10][c:11]2[cH:12][c:13]([Cl:19])[c:14]([O:17][CH3:18])[cH:15][cH:16]2)[n:8]1