HRID1554579

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID8471

Triethylamine

C6H15N

结构：C=C(CC(Cc1ccc(-c2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)O

HCID58160362

未命名化合物

结构：C=C(CC(Cc1ccc(-c2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)OCC

HCID58160387

未命名化合物

HCID178418361

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C)CC(Cc1ccc(-c2ccccc2)cc1)NC(=O)OC(C)(C)C

HCID58160380

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5c042d9b45464ae996f1db4724c948cb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH2:6][CH:7]([CH2:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:13][cH:14]1)[NH:21][C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[CH2:29])=[O:30].[CH3:59][CH2:60][OH:61].[CH3:64][CH2:65][N:66]([CH2:67][CH3:68])[CH2:69][CH3:70].[H:62][H:63].[c:31]1(-[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[cH:38][cH:39][c:40]([CH2:41][CH:42]([NH:43][C:44]([O:45][C:46]([CH3:47])([CH3:48])[CH3:49])=[O:50])[CH2:51][C:52](=[CH2:53])[C:54]([OH:55])=[O:56])[cH:57][cH:58]1>>[CH2:1]([CH3:2])[O:3][C:4]([CH:5]([CH2:6][CH:7]([CH2:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:13][cH:14]1)[NH:21][C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH3:29])=[O:30]