HRID1535640

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

3 次

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID75791

Propanedioic acid, phenyl-

C9H8O4

HCID4072356

2-Ethylhexanoate

C8H15O2-

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)c3ccccc3)C2SC1(C)C

HCID178502971

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-00b3a0c220aa4a15a6ebdba75e2d2c05
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:45](=[O:46])([O-:47])[OH:48].[CH2:33]([N:34]=[C:35]=[N:36][CH2:37][CH2:38][CH2:39][N:40]([CH3:41])[CH3:42])[CH3:43].[CH2:50]([CH:51]([CH2:52][CH2:53][CH2:54][CH3:55])[C:56]([O-:57])=[O:58])[CH3:59].[CH3:61][CH2:62][O:63][C:64](=[O:65])[CH3:66].[ClH:32].[ClH:44].[NH2:1][CH:2]1[CH:3]2[N:4]([CH:5]([P:10](=[O:11])([O:12][CH3:13])[OH:14])[C:6]([CH3:8])([CH3:9])[S:7]2)[C:15]1=[O:16].[Na+:18].[Na+:49].[Na+:60].[OH-:17].[OH2:67].[c:19]1([CH:25]([C:26](=[O:27])[OH:28])[C:29](=[O:30])[OH:31])[cH:20][cH:21][cH:22][cH:23][cH:24]1>>[NH:1]([CH:2]1[CH:3]2[N:4]([CH:5]([P:10](=[O:11])([O:12][CH3:13])[OH:14])[C:6]([CH3:8])([CH3:9])[S:7]2)[C:15]1=[O:16])[C:29]([CH:25]([c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[C:26](=[O:27])[OH:28])=[O:30]