HRID116519

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID8857

Ethyl acetate

C4H8O2

结构：CC(NC(=O)C(NC(=O)C(CC=Cc1ccc(Oc2ccccc2)c(F)c1)C1OC(C)(C)OC1=O)C(C)(C)C)c1ccccc1

HCID178465211

未命名化合物

PRODUCTS

生成物

HCID18319255

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-353983b60b5246199346bb3de4d28bcd
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

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