HRID2324574

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2760341

3-phenoxybenzoyl chloride

C13H9ClO2

结构：CC(C)(C)OC(=O)NC1COCCCC=CC2CC2(C(=O)NS(=O)(=O)C2CC2)NC(=O)C2CC(O)CN2C1=O

HCID72260127

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1COCCCC=CC2CC2(C(=O)NS(=O)(=O)C2CC2)NC(=O)C2CC(OC(=O)c3cccc(Oc4ccccc4)c3)CN2C1=O

HCID72445371

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-145f62607a23431896fa48836a2d536b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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