HRID956142

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

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

HCID57211021

未命名化合物

PRODUCTS

产物

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

HCID57070078

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-5fa4e6d267084d568780fab25395d199
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应SMILES

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