HRID307575

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID284

Formic acid

CH2O2

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID4738385

4-(Benzyloxy)benzene-1-sulfonyl chloride

C13H11ClO3S

结构：COC(=O)C1(C)CN(C(=O)OC(C)(C)C)CCC1N(Cc1ccccc1)C(C)c1ccccc1

HCID178498450

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1(C)CN(C(=O)OC(C)(C)C)CCC1NS(=O)(=O)c1ccc(OCc2ccccc2)cc1

HCID68817254

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-757bb5948aab41eaadd1748aa04c4c25
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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