HRID600169

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID8821

Ethyl acrylate

C5H8O2

结构：CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O

HCID444493

Acetyl CoA

C23H38N7O17P3S

PRODUCTS

生成物

结构：C=CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O

HCID9543026

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID962

Water

H2O

PROCEDURE

实验过程

A solution of acrylyl coenzyme A is prepared at a concentration of 890 ppm following a similar method to that outlined in Example 1a but prepared in water and using one third the amount of S-acetyl coenzyme A synthetase. To this, 44 mg/mL of ethanol and 100 mg/mL of Novozym 435 are added following example 1b. After 2 hours at 37° C. the concentration of ethyl acrylate is found to be 16.4 ppm.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-17d96c466b8f4c7d9ae931a6c90d450b
来源数据集: uspto-grants-2011_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07901915B2
来源说明: uspto-grants-2011_03

反应 SMILES

[C:1]([S:4][CH2:5][CH2:6][NH:7][C:8](=[O:51])[CH2:9][CH2:10][NH:11][C:12](=[O:50])[C@H:13]([OH:49])[C:14]([CH3:48])([CH3:47])[CH2:15][O:16][P:17]([OH:46])(=[O:45])[O:18][P:19]([OH:44])(=[O:43])[O:20][CH2:21][C@H:22]1[O:26][C@@H:25]([N:27]2[C:36]3[N:35]=[CH:34][N:33]=[C:31]([NH2:32])[C:30]=3[N:29]=[CH:28]2)[C@H:24]([OH:37])[C@@H:23]1[O:38][P:39]([OH:42])([OH:41])=[O:40])(=[O:3])[CH3:2].[CH2:52](O)C.C(OCC)(=O)C=C>O>[C:1]([S:4][CH2:5][CH2:6][NH:7][C:8](=[O:51])[CH2:9][CH2:10][NH:11][C:12](=[O:50])[C@H:13]([OH:49])[C:14]([CH3:47])([CH3:48])[CH2:15][O:16][P:17]([OH:46])(=[O:45])[O:18][P:19]([OH:44])(=[O:43])[O:20][CH2:21][C@H:22]1[O:26][C@@H:25]([N:27]2[C:36]3[N:35]=[CH:34][N:33]=[C:31]([NH2:32])[C:30]=3[N:29]=[CH:28]2)[C@H:24]([OH:37])[C@@H:23]1[O:38][P:39]([OH:42])([OH:41])=[O:40])(=[O:3])[CH:2]=[CH2:52]