HRID198157

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID923

Sodium ion

Na+

HCID3857574

Benzenesulfinate

C6H5O2S-

HCID10313279

Benzenesulfonyl cyanide

C7H5NO2S

结构：C=C(C)C(C(=O)OCc1c(Cl)c(OC)c(OC)c(OC)c1Cl)N1C(=O)C(NC(=O)COc2ccccc2)C1SSc1nc2c(C)cccc2s1

HCID20141915

未命名化合物

PRODUCTS

生成物

结构：C=C(C)C(C(=O)OCc1c(Cl)c(OC)c(OC)c(OC)c1Cl)N1C(=O)C(NC(=O)COc2ccccc2)C1SS(=O)(=O)c1ccccc1

HCID13530975

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3e89371363b4468abcb211967d1e532f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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