HRID811559

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

结构：CCC1C=C(C)C(O)C(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(O)C(OC)C3)C(C)C(O)CC1=O)C(C)CC2OC

HCID3850

未命名化合物

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

PRODUCTS

生成物

结构：CCC1C=C(C)C(O)C(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(O)C(OC)C3)C(C)C=CC1=O)C(C)CC2OC

HCID56987985

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d06157de147e4edb810fb0561e4edb0f
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

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