HRID123425

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID8471

Triethylamine

C6H15N

HCID246024

4,6-dichloroquinazoline

C8H4Cl2N2

结构：CCCC1CC(NC(=O)OC(C)(C)C)CCC1N1CCC(N)C1=O

HCID178439397

未命名化合物

PRODUCTS

生成物

结构：CCCC1CC(NC(=O)OC(C)(C)C)CCC1N1CCC(Nc2ncnc3ccc(Cl)cc23)C1=O

HCID178439398

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-489112479aff413db9778383672af5a8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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