HRID190816

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

结构：Cc1ccc(Oc2ccc(Nc3ncnc4ccc(C#CCNC(=O)OC(C)(C)C)cc34)cc2C)cn1

HCID66623656

1,1-Dimethylethyl N-[3-[4-[[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]amino]-6-quinazolinyl]-2-propyn-1-yl]carbamate

C29H29N5O3

PRODUCTS

生成物

结构：Cc1ccc(Oc2ccc(Nc3ncnc4ccc(C#CCN)cc34)cc2C)cn1

HCID66623351

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a2fa8d384c824f0d942a990c53a28f3c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1]([O:2][C:3](=[O:4])[NH:7][CH2:8][C:9]#[C:10][c:11]1[cH:12][c:13]2[c:14]([NH:21][c:22]3[cH:23][c:24]([CH3:36])[c:25]([O:28][c:29]4[cH:30][n:31][c:32]([CH3:35])[cH:33][cH:34]4)[cH:26][cH:27]3)[n:15][cH:16][n:17][c:18]2[cH:19][cH:20]1)([CH3:5])([CH3:6])[CH3:37].[C:48](=[O:49])([OH:50])[O-:51].[Cl:45][CH2:46][Cl:47].[F:38][C:39]([F:40])([F:41])[C:42]([OH:43])=[O:44].[Na+:52]>>[NH2:7][CH2:8][C:9]#[C:10][c:11]1[cH:12][c:13]2[c:14]([NH:21][c:22]3[cH:23][c:24]([CH3:36])[c:25]([O:28][c:29]4[cH:30][n:31][c:32]([CH3:35])[cH:33][cH:34]4)[cH:26][cH:27]3)[n:15][cH:16][n:17][c:18]2[cH:19][cH:20]1