HRID90173

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID5943

Carbon tetrachloride

CCl4

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-5bb8f5cb73e04f79a915120efa91dbe1
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

[C:75]([Cl:76])([Cl:77])([Cl:78])[Cl:79].[CH2:58]([N+:59]([CH2:60][CH2:61][CH2:62][CH3:63])([CH2:64][CH2:65][CH2:66][CH3:67])[CH2:68][CH2:69][CH2:70][CH3:71])[CH2:72][CH2:73][CH3:74].[CH3:1][O:2][S:3]([O:4][CH3:5])(=[O:6])=[O:7].[I-:57].[Na+:56].[OH-:55].[OH2:80].[c:8]1([CH:14]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[O:21][C:22]([C:23](=[C:24]([CH3:25])[OH:26])[N:27]2[C:28](=[O:53])[CH:29]([NH:42][C:43]([CH2:44][O:45][c:46]3[cH:47][cH:48][cH:49][cH:50][cH:51]3)=[O:52])[CH:30]2[S:31][S:32](=[O:33])(=[O:34])[c:35]2[cH:36][cH:37][c:38]([CH3:41])[cH:39][cH:40]2)=[O:54])[cH:9][cH:10][cH:11][cH:12][cH:13]1>>[CH3:1][O:26][C:24](=[C:23]([C:22]([O:21][CH:14]([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)=[O:54])[N:27]1[C:28](=[O:53])[CH:29]([NH:42][C:43]([CH2:44][O:45][c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)=[O:52])[CH:30]1[S:31][S:32](=[O:33])(=[O:34])[c:35]1[cH:36][cH:37][c:38]([CH3:41])[cH:39][cH:40]1)[CH3:25]