HRID209110

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID19966080

1-(Phenylmethyl) 4-carboxybenzeneacetate

C16H14O4

结构：CC(C)(C)c1ccc(CCC(O)CC2CCCCC2)cc1NC(=O)CC1c2ccccc2Oc2ccccc21

HCID19966195

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(CCC(CC2CCCCC2)OC(=O)c2ccc(CC(=O)OCc3ccccc3)cc2)cc1NC(=O)CC1c2ccccc2Oc2ccccc21

HCID19966156

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f22d1264ea23495780d8dfa0eaa36db0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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