HRID86321

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

结构：CC(=O)N(C(C)=O)c1ncc(C#Cc2cnn3c(C(F)(F)F)cc(-c4ccc(C(F)(F)F)cc4)nc23)cn1

HCID86608105

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1ncc(C#Cc2cnn3c(C(F)(F)F)cc(-c4ccc(C(F)(F)F)cc4)nc23)cn1

HCID86608104

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-94d12e83ae324f72a4419ca86828d010
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:1]([CH3:2])(=[O:3])[N:4]([C:5](=[O:6])[CH3:7])[c:8]1[n:9][cH:10][c:11]([C:14]#[C:15][c:16]2[cH:17][n:18][n:19]3[c:20]2[n:21][c:22](-[c:29]2[cH:30][cH:31][c:32]([C:35]([F:36])([F:37])[F:38])[cH:33][cH:34]2)[cH:23][c:24]3[C:25]([F:26])([F:27])[F:28])[cH:12][n:13]1.[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[ClH:39].[NH3:41].[OH2:40]>>[C:1]([CH3:2])(=[O:3])[NH:4][c:8]1[n:9][cH:10][c:11]([C:14]#[C:15][c:16]2[cH:17][n:18][n:19]3[c:20]2[n:21][c:22](-[c:29]2[cH:30][cH:31][c:32]([C:35]([F:36])([F:37])[F:38])[cH:33][cH:34]2)[cH:23][c:24]3[C:25]([F:26])([F:27])[F:28])[cH:12][n:13]1