HRID114889

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID14459693

未命名化合物

结构：COc1cc(OCCOC(C)=O)c(F)c(C(Nc2ccc(C(N)=NC(=O)c3ccccc3)cc2)c2nn(-c3ncccn3)c(=O)[nH]2)c1

HCID136334025

未命名化合物

PRODUCTS

生成物

结构：COCC(C)(C)C(=O)OCOc1nc(C(Nc2ccc(C(N)=NC(=O)c3ccccc3)cc2)c2cc(OC)cc(OCCOC(C)=O)c2F)nn1-c1ncccn1

HCID67470520

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6d6795ddbb8f45489131e6eba5206578
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:59](=[O:60])([O-:61])[OH:62].[CH3:70][CH2:71][O:72][C:73](=[O:74])[CH3:75].[Cl:48][CH2:49][O:50][C:51]([C:52]([CH2:53][O:54][CH3:55])([CH3:56])[CH3:57])=[O:58].[K+:63].[NH2:1][C:2]([c:3]1[cH:4][cH:5][c:6]([NH:9][CH:10]([c:11]2[c:12]([F:26])[c:13]([O:14][CH2:15][CH2:16][O:17][C:18]([CH3:19])=[O:20])[cH:21][c:22]([O:24][CH3:25])[cH:23]2)[c:27]2[n:28][n:29](-[c:33]3[n:34][cH:35][cH:36][cH:37][n:38]3)[c:30](=[O:32])[nH:31]2)[cH:7][cH:8]1)=[N:39][C:40]([c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)=[O:47].[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[OH2:69]>>[NH2:1][C:2]([c:3]1[cH:4][cH:5][c:6]([NH:9][CH:10]([c:11]2[c:12]([F:26])[c:13]([O:14][CH2:15][CH2:16][O:17][C:18]([CH3:19])=[O:20])[cH:21][c:22]([O:24][CH3:25])[cH:23]2)[c:27]2[n:28][n:29](-[c:33]3[n:34][cH:35][cH:36][cH:37][n:38]3)[c:30]([O:32][CH2:49][O:50][C:51]([C:52]([CH2:53][O:54][CH3:55])([CH3:56])[CH3:57])=[O:58])[n:31]2)[cH:7][cH:8]1)=[N:39][C:40]([c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)=[O:47]