HRID1202790

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID23925

Iron

结构：COc1cc2ncnc(N3CCC(n4c(=O)c5cc([N+](=O)[O-])ccc5n(C)c4=O)CC3)c2cc1OC

HCID22923550

3-[1-(6,7-Dimethoxy-4-quinazolinyl)-4-piperidinyl]-1-methyl-6-nitro-2,4(1H,3H)-quinazolinedione

C24H24N6O6

PRODUCTS

生成物

结构：COc1cc2ncnc(N3CCC(n4c(=O)c5cc(N)ccc5n(C)c4=O)CC3)c2cc1OC

HCID22923335

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-738c1b5318b44284a69381658720c694
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:1][CH2:2][OH:3].[CH3:4][O:5][c:6]1[cH:7][c:8]2[c:9]([N:18]3[CH2:19][CH2:20][CH:21]([n:24]4[c:25](=[O:39])[n:26]([CH3:38])[c:27]5[cH:28][cH:29][c:30]([N+:35]([O-:36])=[O:37])[cH:31][c:32]5[c:33]4=[O:34])[CH2:22][CH2:23]3)[n:10][cH:11][n:12][c:13]2[cH:14][c:15]1[O:16][CH3:17].[Cl-:40].[Fe:41].[OH2:42]>>[CH3:4][O:5][c:6]1[cH:7][c:8]2[c:9]([N:18]3[CH2:19][CH2:20][CH:21]([n:24]4[c:25](=[O:39])[n:26]([CH3:38])[c:27]5[cH:28][cH:29][c:30]([NH2:35])[cH:31][c:32]5[c:33]4=[O:34])[CH2:22][CH2:23]3)[n:10][cH:11][n:12][c:13]2[cH:14][c:15]1[O:16][CH3:17]