HRID2309967

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

HCID1140

Toluene

C7H8

HCID6497

Dimethyl sulfate

C2H6O4S

HCID16028

Tetrabutylammonium

C16H36N+

HCID30165

Iodide ion

I-

结构：CC(O)=C(C(=O)OC(c1ccccc1)c1ccccc1)N1C(=O)C(NC(=O)COc2ccccc2)C1SS(=O)(=O)c1ccc(C)cc1

HCID70454176

Diphenylmethyl α-(1-hydroxyethylidene)-2-[[(4-methylphenyl)sulfonyl]thio]-4-oxo-3-[(2-phenoxyacetyl)amino]-1-azetidineacetate

C35H32N2O8S2

PRODUCTS

生成物

结构：COC(C)=C(C(=O)OC(c1ccccc1)c1ccccc1)N1C(=O)C(NC(=O)COc2ccccc2)C1SS(=O)(=O)c1ccc(C)cc1

HCID54136493

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9bce5b1dc18645f49688db5bc52e9838
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:8](=[O:9])([OH:10])[O-:11].[CH2:61]([N+:62]([CH2:63][CH2:64][CH2:65][CH3:66])([CH2:67][CH2:68][CH2:69][CH3:70])[CH2:71][CH2:72][CH2:73][CH3:74])[CH2:75][CH2:76][CH3:77].[CH3:1][O:2][S:3]([O:4][CH3:5])(=[O:6])=[O:7].[CH3:78][c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1.[I-:60].[K+:12].[c:13]1([CH:19]([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[O:26][C:27]([C:28](=[C:29]([CH3:30])[OH:31])[N:32]2[C:33](=[O:58])[CH:34]([NH:47][C:48]([CH2:49][O:50][c:51]3[cH:52][cH:53][cH:54][cH:55][cH:56]3)=[O:57])[CH:35]2[S:36][S:37](=[O:38])(=[O:39])[c:40]2[cH:41][cH:42][c:43]([CH3:46])[cH:44][cH:45]2)=[O:59])[cH:14][cH:15][cH:16][cH:17][cH:18]1>>[CH3:1][O:31][C:29](=[C:28]([C:27]([O:26][CH:19]([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)=[O:59])[N:32]1[C:33](=[O:58])[CH:34]([NH:47][C:48]([CH2:49][O:50][c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)=[O:57])[CH:35]1[S:36][S:37](=[O:38])(=[O:39])[c:40]1[cH:41][cH:42][c:43]([CH3:46])[cH:44][cH:45]1)[CH3:30]