HRID1122207

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID8471

Triethylamine

C6H15N

HCID21075095

4-Chloro-6-(trifluoromethyl)quinazoline

C9H4ClF3N2

反应SMILES：CC(C)N(C)C1CCC(N2CCC(N)C2=O)C(CS(=O)(=O)C(C)C)C1

HCID178457056

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)N(C)C1CCC(N2CCC(Nc3ncnc4ccc(C(F)(F)F)cc34)C2=O)C(CS(=O)(=O)C(C)C)C1

HCID178457059

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-7fba4e6abba5478a9bba2c6b327775a8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

[CH3:26][CH2:27][N:28]([CH2:29][CH3:30])[CH2:31][CH3:32].[CH3:48][CH2:49][OH:50].[Cl:33][c:34]1[n:35][cH:36][n:37][c:38]2[cH:39][cH:40][c:41]([C:44]([F:45])([F:46])[F:47])[cH:42][c:43]12.[NH2:1][CH:2]1[C:3](=[O:25])[N:4]([CH:7]2[CH:8]([CH2:18][S:19](=[O:20])(=[O:21])[CH:22]([CH3:23])[CH3:24])[CH2:9][CH:10]([N:13]([CH3:14])[CH:15]([CH3:16])[CH3:17])[CH2:11][CH2:12]2)[CH2:5][CH2:6]1>>[NH:1]([CH:2]1[C:3](=[O:25])[N:4]([CH:7]2[CH:8]([CH2:18][S:19](=[O:20])(=[O:21])[CH:22]([CH3:23])[CH3:24])[CH2:9][CH:10]([N:13]([CH3:14])[CH:15]([CH3:16])[CH3:17])[CH2:11][CH2:12]2)[CH2:5][CH2:6]1)[c:34]1[n:35][cH:36][n:37][c:38]2[cH:39][cH:40][c:41]([C:44]([F:45])([F:46])[F:47])[cH:42][c:43]12