HRID2128271

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

2 次

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID11575

Benzene, iodo-

C6H5I

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

结构：NC(=O)c1cc(Oc2ccc(NC(=O)C3(C(=O)OCc4ccccc4)CC3)c(F)c2)ccn1

HCID24788499

未命名化合物

PRODUCTS

生成物

结构：Nc1cc(Oc2ccc(NC(=O)C3(C(=O)OCc4ccccc4)CC3)c(F)c2)ccn1

HCID59459707

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-04305011d24a4021a677fda9f58ea343
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:35]([OH:36])(=[O:37])[CH3:38].[C:39]([OH:40])(=[O:41])[CH3:42].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[C:11]1([C:14]([NH:15][c:16]2[c:17]([F:32])[cH:18][c:19]([O:22][c:23]3[cH:24][c:25]([C:29](=[O:30])[NH2:31])[n:26][cH:27][cH:28]3)[cH:20][cH:21]2)=[O:33])[CH2:12][CH2:13]1.[CH3:52][N:53]1[CH2:54][CH2:55][CH2:56][C:57]1=[O:58].[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[I:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[Na+:51].[OH-:50].[OH2:34]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[C:11]1([C:14]([NH:15][c:16]2[c:17]([F:32])[cH:18][c:19]([O:22][c:23]3[cH:24][c:25]([NH2:53])[n:26][cH:27][cH:28]3)[cH:20][cH:21]2)=[O:33])[CH2:12][CH2:13]1