HRID1575961

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7912

Diisopropylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID556888

1-Aminocyclopropanecarbonitrile

C4H6N2

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

HCID57446957

未命名化合物

结构：CC(C)CC(NC(c1ccc(Br)cc1)c1nccs1)C(=O)O

HCID69550892

未命名化合物

HCID178506677

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC(NC(c1ccc(Br)cc1)c1nccs1)C(=O)NC1(C#N)CC1

HCID178446303

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7511870ccc444d1fa580a81c9d16b547
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

[Br:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([c:9]2[s:10][cH:11][cH:12][n:13]2)[NH:14][CH:15]([C:16](=[O:17])[OH:18])[CH2:19][CH:20]([CH3:21])[CH3:22])[cH:6][cH:7]1.[Br:60][c:61]1[cH:62][cH:63][cH:64][cH:65][c:66]1[Li:67].[CH3:68][CH:69]([CH3:70])[CH2:71][CH:72]([NH2:73])[C:74]12[O:75][CH2:76][C:77]([CH3:78])([CH2:79][O:80]1)[CH2:81][O:82]2.[CH:53]([NH:54][CH:55]([CH3:56])[CH3:57])([CH3:58])[CH3:59].[NH2:23][C:24]1([C:27]#[N:28])[CH2:25][CH2:26]1.[P-:29]([F:30])([F:31])([F:32])([F:33])([F:34])[F:35].[n:36]1([O:37][C:38]([N:39]([CH3:40])[CH3:41])=[N+:42]([CH3:43])[CH3:44])[c:45]2[n:46][cH:47][cH:48][cH:49][c:50]2[n:51][n:52]1>>[Br:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([c:9]2[s:10][cH:11][cH:12][n:13]2)[NH:14][CH:15]([C:16](=[O:18])[NH:23][C:24]2([C:27]#[N:28])[CH2:25][CH2:26]2)[CH2:19][CH:20]([CH3:21])[CH3:22])[cH:6][cH:7]1