HRID946952

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID145832046

未命名化合物

结构：CC(=O)c1cc(NC(=O)OCc2ccccc2)c(=O)n2c1CCC2C(=O)O

HCID178466971

未命名化合物

PRODUCTS

生成物

结构：CC(=O)c1cc(NC(=O)OCc2ccccc2)c(=O)n2c1CCC2C(=O)NCc1ccc(C(=N)NC(=O)OC(C)(C)C)cc1

HCID178466970

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-423aae062384415e81c748863665bb4b
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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