HRID173083

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID547712

1,1-Bis(1,1-dimethylethoxy)-N,N,N-trimethylamine

C11H25NO2

结构：CCCNC(=O)CC(C(=O)O)C(O)c1ccc2c(c1)c(Cc1ccc(C(=O)OC)cc1OC)cn2CCC

HCID19870545

未命名化合物

PRODUCTS

生成物

结构：CCCNC(=O)CC=Cc1ccc2c(c1)c(Cc1ccc(C(=O)OC)cc1OC)cn2CCC

HCID57304767

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-44d1a8698357476ab6f41d75b76b3a77
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

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