HRID1558225

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

结构：CCN(CC)OP(=O)(O)C(N)C(=O)OCc1ccc(OC)cc1

HCID53679829

未命名化合物

结构：CCOP(=O)(OCC)C(N=Cc1ccccc1)C(=O)OCc1ccc(OC)cc1

HCID53831774

未命名化合物

PRODUCTS

生成物

HCID53833759

(4-Methoxyphenyl)methyl amino(diethoxyphosphoryl)acetate

C14H22NO6P

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bab886f61b304f6e83050262e3e50770
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

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