HRID101545

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID16658

N-Aminopiperidine

C5H12N2

HCID94429

Triphosgene

C3Cl6O3

HCID11616363

4-[(6,7-Dimethoxy-4-quinazolinyl)oxy]benzenamine

C16H15N3O3

PRODUCTS

生成物

结构：COc1cc2ncnc(Oc3ccc(NC(=O)NN4CCCCC4)cc3)c2cc1OC

HCID21889921

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-314ed0eb988049809ccbdd3d253e112b
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:42](=[O:43])([OH:44])[O-:45].[CH2:47]([Cl:48])[Cl:49].[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([O:15][c:16]3[cH:17][cH:18][c:19]([NH2:20])[cH:21][cH:22]3)[n:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14].[CH3:50][CH2:51][N:52]([CH2:53][CH3:54])[CH2:55][CH3:56].[CH3:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[Cl:23][C:24]([Cl:25])([O:26][C:27]([O:28][C:29]([Cl:30])([Cl:31])[Cl:32])=[O:33])[Cl:34].[NH2:35][N:36]1[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41]1.[Na+:46]>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([O:15][c:16]3[cH:17][cH:18][c:19]([NH:20][C:27](=[O:33])[NH:35][N:36]4[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41]4)[cH:21][cH:22]3)[n:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14]