HRID685994

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

结构：C=CCC1C=C(C)CC(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

HCID5372

未命名化合物

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

PRODUCTS

生成物

结构：C=CCC1C=C(C)CC(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

HCID57153457

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-16ebc29a3f1d4ad08cd2eb8d94bb6827
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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