HRID802893

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID7509

Benzenemethanethiol

C7H8S

HCID8471

Triethylamine

C6H15N

结构：COC(=O)C(CC1CO1)NS(=O)(=O)c1ccc(-c2ccc(OC)cc2)cc1

HCID12073922

未命名化合物

结构：COc1ccc(-c2ccc(S(=O)(=O)NC3CC(CSCc4ccccc4)OC3=O)cc2)cc1

HCID23508270

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2ccc(S(=O)(=O)NC(CC(O)CSCc3ccccc3)C(=O)O)cc2)cc1

HCID9935779

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-330d67a21f564e2f9e356237af76eb80
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:73]([SH:74])[c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1.[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][cH:11][c:12]([S:15](=[O:16])(=[O:17])[NH:18][CH:19]3[C:20](=[O:33])[O:21][CH:22]([CH2:24][S:25][CH2:26][c:27]4[cH:28][cH:29][cH:30][cH:31][cH:32]4)[CH2:23]3)[cH:13][cH:14]2)[cH:7][cH:8]1.[CH3:34][O:35][c:36]1[cH:37][cH:38][c:39](-[c:40]2[cH:41][cH:42][c:43]([S:44]([NH:45][CH:46]([CH2:47][CH:48]3[O:49][CH2:50]3)[C:51]([O:52][CH3:53])=[O:54])(=[O:55])=[O:56])[cH:57][cH:58]2)[cH:59][cH:60]1.[CH3:66][CH2:67][N:68]([CH2:69][CH3:70])[CH2:71][CH3:72].[Na+:65].[O-:61][C:62]([OH:63])=[O:64].[OH2:87].[cH:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][cH:11][c:12]([S:15](=[O:16])(=[O:17])[NH:18][CH:19]([C:20]([OH:21])=[O:33])[CH2:23][CH:22]([CH2:24][S:25][CH2:26][c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[OH:35])[cH:13][cH:14]2)[cH:7][cH:8]1