HRID1563282

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID498716

未命名化合物

结构：N#Cc1ccc(OCC(=NNC(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc2)cc1

HCID54482283

未命名化合物

PRODUCTS

生成物

HCID19972049

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-48abb878120a4b3388d97495329eaf8c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([O:7][CH2:8][C:9]([c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)=[N:16][NH:17][C:18](=[O:19])[NH:20][c:21]2[cH:22][cH:23][c:24]([O:27][C:28]([F:29])([F:30])[F:31])[cH:25][cH:26]2)[cH:32][cH:33]1.[C:34]([BH3-:35])#[N:36].[CH3:39][OH:40].[ClH:38].[Na+:37].[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([O:7][CH2:8][CH:9]([c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[NH:16][NH:17][C:18](=[O:19])[NH:20][c:21]2[cH:22][cH:23][c:24]([O:27][C:28]([F:29])([F:30])[F:31])[cH:25][cH:26]2)[cH:32][cH:33]1