HRID173837

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

结构：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

HCID2241

未命名化合物

PRODUCTS

生成物

结构：CCC1C=C(C)CC(C)CC(OC)C2OC(O)(C(C)CC2OC)C(O)C(=O)N2CCCCC2C(=O)OC(C(C)=CC2CCC(O)C(OC)C2)C(C)C(O)CC1=O

HCID77381438

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e67430762f5544d68a1cae7af2a127d7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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