HRID663174

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID77426639

未命名化合物

结构：COc1cc(OCCO)c(F)c(C(Nc2ccc(C(N)=NC(=O)c3ccc(C)cc3)cc2)c2nn(-c3ncccn3)c(=O)[nH]2)c1

HCID136334026

未命名化合物

PRODUCTS

生成物

结构：COc1cc(OCCO)c(F)c(C(Nc2ccc(C(N)=NC(=O)c3ccc(C)cc3)cc2)c2nc(OC(C)OC(=O)OC3CCCCC3C)n(-c3ncccn3)n2)c1

HCID178493540

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-876b17c0e7be494b88e9ca74292a9d1b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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