HRID669919

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID12127

3-Hydroxy-4-methoxy-benzaldehyde

C8H8O3

HCID498716

未命名化合物

结构：O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NCC1CCNCC1

HCID18426164

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN2CCC(CNC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)CC2)cc1O

HCID18426263

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-03254522038d42ccb4bf2a34d14e6fbf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:36]([BH3-:37])#[N:38].[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[NH:8][CH2:9][C:10](=[O:11])[NH:12][CH2:13][CH:14]2[CH2:15][CH2:16][NH:17][CH2:18][CH2:19]2)[cH:20][cH:21][cH:22]1)([F:23])[F:24].[Na+:39].[OH:25][c:26]1[cH:27][c:28]([CH:29]=[O:30])[cH:31][cH:32][c:33]1[O:34][CH3:35]>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[NH:8][CH2:9][C:10](=[O:11])[NH:12][CH2:13][CH:14]2[CH2:15][CH2:16][N:17]([CH2:29][c:28]3[cH:27][c:26]([OH:25])[c:33]([O:34][CH3:35])[cH:32][cH:31]3)[CH2:18][CH2:19]2)[cH:20][cH:21][cH:22]1)([F:23])[F:24]