HRID105661

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID4072356

2-Ethylhexanoate

C8H15O2-

HCID15607089

(Thiophen-2-yl)propanedioic acid

C7H6O4S

HCID178502968

未命名化合物

PRODUCTS

生成物

结构：COP(=O)(O)C1N2C(=O)C(NC(=O)C(C(=O)O)c3cccs3)C2SC1(C)C

HCID178502972

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-68c54b6ac41c4900a3cbbca5c2df279a
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

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