HRID2324229

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID3776

Isopropanol

C3H8O

结构：N#CNC(=NCCNc1nc(-c2ccc(F)cc2F)c2ccc(=O)n(-c3ccccc3F)c2n1)Oc1ccccc1

HCID59789332

未命名化合物

PRODUCTS

生成物

结构：N#CNC(=N)NCCNc1nc(-c2ccc(F)cc2F)c2ccc(=O)n(-c3ccccc3F)c2n1

HCID178512378

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e66fdee20f984d04800e70d58de02772
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:1](#[N:2])[NH:3][C:4]([O:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)=[N:12][CH2:13][CH2:14][NH:15][c:16]1[n:17][c:18](-[c:34]2[c:35]([F:41])[cH:36][c:37]([F:40])[cH:38][cH:39]2)[c:19]2[c:20]([n:21]1)[n:22](-[c:27]1[c:28]([F:33])[cH:29][cH:30][cH:31][cH:32]1)[c:23](=[O:26])[cH:24][cH:25]2.[CH:43]([OH:44])([CH3:45])[CH3:46].[NH3:42]>>[C:1](#[N:2])[NH:3][C:4]([NH:12][CH2:13][CH2:14][NH:15][c:16]1[n:17][c:18](-[c:34]2[c:35]([F:41])[cH:36][c:37]([F:40])[cH:38][cH:39]2)[c:19]2[c:20]([n:21]1)[n:22](-[c:27]1[c:28]([F:33])[cH:29][cH:30][cH:31][cH:32]1)[c:23](=[O:26])[cH:24][cH:25]2)=[NH:42]