HRID2341618

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6386

tert-Butyl alcohol

C4H10O

HCID19660

Carbonate

CO3-2

HCID84468

Trifluoroacetate

C2F3O2-

HCID3477840

Ethyl 4-chloroquinazoline-2-carboxylate

C11H9ClN2O2

结构：Cc1[nH]c(C(=O)NC2CC[NH2+]CC2)c(Cl)c1Cl

HCID178433657

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1nc(N2CCC(NC(=O)c3[nH]c(C)c(Cl)c3Cl)CC2)c2ccccc2n1

HCID68579939

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fe73cf165a634305ad5e7fd1398a428f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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