HRID297046

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID75676

Diethyl (cyanomethyl)phosphonate

C6H12NO3P

HCID166653

Hydride

H-

结构：O=C1CCc2ccc(N(Cc3ccccc3)Cc3ccccc3)nc21

HCID59145934

未命名化合物

PRODUCTS

生成物

结构：N#CC=C1CCc2ccc(N(Cc3ccccc3)Cc3ccccc3)nc21

HCID68702395

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-11b6c2651e3645709b5b5038fcecf8bd
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

[C:3](#[N:4])[CH2:5][P:6](=[O:7])([O:8][CH2:9][CH3:10])[O:11][CH2:12][CH3:13].[CH2:14]([c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[N:21]([c:22]1[cH:23][cH:24][c:25]2[c:26]([n:27]1)[C:28](=[O:31])[CH2:29][CH2:30]2)[CH2:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[Cl-:44].[H-:1].[NH4+:45].[Na+:2].[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1>>[C:3](#[N:4])[CH:5]=[C:28]1[c:26]2[c:25]([cH:24][cH:23][c:22]([N:21]([CH2:14][c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)[CH2:32][c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[n:27]2)[CH2:30][CH2:29]1