HRID211141

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

结构：CCCN(CC1CC1)c1ccc(C(F)(F)F)cc1CN(Cc1cc(C#N)cc(C(F)(F)F)c1)c1ncc(OCCCC(=O)OCC)cn1

HCID86626842

未命名化合物

PRODUCTS

生成物

结构：CCCN(CC1CC1)c1ccc(C(F)(F)F)cc1CN(Cc1cc(C#N)cc(C(F)(F)F)c1)c1ncc(OCCCC(=O)O)cn1

HCID86626844

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-12264490ad994578a178a1eec2824e7e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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