HRID192282

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID8028

Tetrahydrofuran

C4H8O

HCID54101822

1-Fluorocyclopropanecarbonyl chloride

C4H4ClFO

结构：CC1=C(C#N)C(c2ccc(C#N)cc2)n2nc(N)nc2N1c1cccc(C(F)(F)F)c1

HCID71231844

未命名化合物

PRODUCTS

生成物

结构：CC1=C(C#N)C(c2ccc(C#N)cc2)n2nc(NC(=O)C3(F)CC3)nc2N1c1cccc(C(F)(F)F)c1

HCID77155219

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-020d03dbfeea40b9a130f560bfdfa26c
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

[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[ClH:1].[F:39][C:40]1([C:43](=[O:44])[Cl:45])[CH2:41][CH2:42]1.[NH2:2][c:3]1[n:4][n:5]2[c:6]([n:32]1)[N:7]([c:22]1[cH:23][c:24]([C:28]([F:29])([F:30])[F:31])[cH:25][cH:26][cH:27]1)[C:8]([CH3:21])=[C:9]([C:19]#[N:20])[CH:10]2[c:11]1[cH:12][cH:13][c:14]([C:17]#[N:18])[cH:15][cH:16]1.[cH:33]1[cH:34][cH:35][n:36][cH:37][cH:38]1>>[NH:2]([c:3]1[n:4][n:5]2[c:6]([n:32]1)[N:7]([c:22]1[cH:23][c:24]([C:28]([F:29])([F:30])[F:31])[cH:25][cH:26][cH:27]1)[C:8]([CH3:21])=[C:9]([C:19]#[N:20])[CH:10]2[c:11]1[cH:12][cH:13][c:14]([C:17]#[N:18])[cH:15][cH:16]1)[C:43]([C:40]1([F:39])[CH2:41][CH2:42]1)=[O:44]