HRID307144

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID8857

Ethyl acetate

C4H8O2

HCID75525

Phthalimide, N-(2-formylethyl)-

C11H9NO3

HCID81531

Diisopropylethylamine

C8H19N

HCID2724942

未命名化合物

HCID58336395

未命名化合物

PRODUCTS

生成物

结构：CNc1nccc(-c2cc(NCCCN3C(=O)c4ccccc4C3=O)c3cc(OC)ccc3c2)n1

HCID53258170

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-24fa0b2dc1b840cdb395f3d578cf5b59
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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