HRID102406

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

HCID19966195

未命名化合物

HCID19966284

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(CCC(CC2CCCCC2)OC(=O)CSCC(=O)OCc2ccccc2)cc1NC(=O)CC1c2ccccc2Oc2ccccc21

HCID19966095

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bc14133716a54f12a934e367e9770184
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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