HRID667339

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID3283

Diethyl Ether

C4H10O

HCID6356

Boron trifluoride

BF3

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID498716

未命名化合物

结构：CCCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)n(C2CCC3(CC2)OC(C)C(C)O3)c2ncnn12

HCID67009012

未命名化合物

PRODUCTS

生成物

结构：CCCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)n(C2CCC(OC(C)C(C)O)CC2)c2ncnn12

HCID67008474

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-453c0f5110bb473a92a703cb5aed67b2
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

[B:51]([F:52])([F:53])[F:54].[C:42]([BH3-:43])#[N:44].[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[c:6]([CH2:27][c:28]2[cH:29][cH:30][c:31](-[c:34]3[c:35]([C:40]#[N:41])[cH:36][cH:37][cH:38][cH:39]3)[cH:32][cH:33]2)[c:7](=[O:26])[n:8]([CH:14]2[CH2:15][CH2:16][C:17]3([O:18][CH:19]([CH3:23])[CH:20]([CH3:22])[O:21]3)[CH2:24][CH2:25]2)[c:9]2[n:10]1[n:11][cH:12][n:13]2.[CH2:46]([O:47][CH2:48][CH3:49])[CH3:50].[CH3:60][CH2:61][O:62][C:63](=[O:64])[CH3:65].[Na+:45].[O:55]1[CH2:56][CH2:57][CH2:58][CH2:59]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[c:6]([CH2:27][c:28]2[cH:29][cH:30][c:31](-[c:34]3[c:35]([C:40]#[N:41])[cH:36][cH:37][cH:38][cH:39]3)[cH:32][cH:33]2)[c:7](=[O:26])[n:8]([CH:14]2[CH2:15][CH2:16][CH:17]([O:18][CH:19]([CH:20]([OH:21])[CH3:22])[CH3:23])[CH2:24][CH2:25]2)[c:9]2[n:10]1[n:11][cH:12][n:13]2