HRID1544737

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID76288

Epolamine

C6H13NO

HCID166653

Hydride

H-

结构：Cc1ccc(S(=O)(=O)OCCSC2CCC3(C)C(CCC4C3CCC3(C)C(c5ccoc5)CCC43O)C2)cc1

HCID178427783

未命名化合物

PRODUCTS

生成物

结构：CC12CCC(SCCOCCN3CCCC3)CC1CCC1C2CCC2(C)C(c3ccoc3)CCC12O

HCID178421438

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dfcd58b42c3a4da986bf17cc4232ca54
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:51][N:52]([CH3:53])[CH:54]=[O:55].[H-:10].[Na+:9].[OH2:50].[OH:1][CH2:2][CH2:3][N:4]1[CH2:5][CH2:6][CH2:7][CH2:8]1.[S:11]([O:12][CH2:22][CH2:23][S:24][CH:25]1[CH2:26][CH:27]2[CH2:28][CH2:29][CH:30]3[C:31]4([OH:49])[CH2:32][CH2:33][CH:34]([c:44]5[cH:45][o:46][cH:47][cH:48]5)[C:35]4([CH3:36])[CH2:37][CH2:38][CH:39]3[C:40]2([CH3:43])[CH2:41][CH2:42]1)([c:13]1[cH:14][cH:15][c:16]([CH3:17])[cH:18][cH:19]1)(=[O:20])=[O:21]>>[O:1]([CH2:2][CH2:3][N:4]1[CH2:5][CH2:6][CH2:7][CH2:8]1)[CH2:22][CH2:23][S:24][CH:25]1[CH2:26][CH:27]2[CH2:28][CH2:29][CH:30]3[C:31]4([OH:49])[CH2:32][CH2:33][CH:34]([c:44]5[cH:45][o:46][cH:47][cH:48]5)[C:35]4([CH3:36])[CH2:37][CH2:38][CH:39]3[C:40]2([CH3:43])[CH2:41][CH2:42]1