HRID802285

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID5975

Cyanide

CN-

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID32051

Zinc (II) cation

Zn+2

结构：Clc1ccc(CNC2CCN(c3ncc(Br)cn3)C2)c(Cl)c1

HCID66854039

1-(5-bromopyrimidin-2-yl)-N-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-amine

C15H15BrCl2N4

PRODUCTS

生成物

结构：N#Cc1cnc(N2CCC(NCc3ccc(Cl)cc3Cl)C2)nc1

HCID66854596

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1576643cbe52486287e70bc7b640e50d
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C-:32]#[N:33].[C-:35]#[N:36].[CH3:24][N:25]([CH3:26])[CH:27]=[O:28].[Cl:1][c:2]1[c:3]([CH2:4][NH:5][CH:6]2[CH2:7][N:8]([c:11]3[n:12][cH:13][c:14]([Br:17])[cH:15][n:16]3)[CH2:9][CH2:10]2)[cH:18][cH:19][c:20]([Cl:22])[cH:21]1.[Cl:29][CH2:30][Cl:31].[NH3:23].[Pd:37].[Zn+2:34].[c:38]1([P:39]([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[cH:52][cH:53][cH:54][cH:55][cH:56]1.[c:57]1([P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[cH:71][cH:72][cH:73][cH:74][cH:75]1.[c:76]1([P:77]([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[cH:90][cH:91][cH:92][cH:93][cH:94]1.[c:95]1([P:96]([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[cH:109][cH:110][cH:111][cH:112][cH:113]1>>[Cl:1][c:2]1[c:3]([CH2:4][NH:5][CH:6]2[CH2:7][N:8]([c:11]3[n:12][cH:13][c:14]([C:24]#[N:25])[cH:15][n:16]3)[CH2:9][CH2:10]2)[cH:18][cH:19][c:20]([Cl:22])[cH:21]1