HRID292037

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID16646

4-Methoxyphenyl glycidyl ether

C10H12O3

结构：COC(=O)C1=C(C)NC2=C(C(=O)CNC2)C1c1c(F)c(F)c(F)c(F)c1F

HCID13061758

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1=C(C)NC2=C(C(=O)CN(CC(O)COc3ccc(OC)cc3)C2)C1c1c(F)c(F)c(F)c(F)c1F

HCID86740496

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-21bc3fb84e844cfba56500ff842789e3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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