HRID686341

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID674

Dimethylamine

C2H7N

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

结构：CCOC(=O)c1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1

HCID10429180

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2nc(C(=O)N(C)C)sc2-c2ccc(OC)cc2)cc1

HCID10021953

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-557900f62e1242c9b9eba517bf47dc31
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[n:10][c:11]([C:22]([O:24][CH2:23][CH3:25])=[O:26])[s:12][c:13]2-[c:14]2[cH:15][cH:16][c:17]([O:20][CH3:21])[cH:18][cH:19]2)[cH:7][cH:8]1.[CH3:28][NH:29][CH3:30].[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[CH3:38][CH2:39][OH:40].[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[ClH:27].[OH2:47]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[n:10][c:11]([C:22](=[O:24])[N:29]([CH3:28])[CH3:30])[s:12][c:13]2-[c:14]2[cH:15][cH:16][c:17]([O:20][CH3:21])[cH:18][cH:19]2)[cH:7][cH:8]1