HRID1239943

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID12286

3-Bromopyridine

C5H4BrN

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID105144

Palladium(2+)

Pd+2

结构：C=Cc1ccc2c(c1)nc(N)c1nc(CCC)n(NC(C)C)c12

HCID21075810

未命名化合物

PRODUCTS

生成物

结构：CCCc1nc2c(N)nc3cc(C=Cc4cccnc4)ccc3c2n1NC(C)C

HCID86596853

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9d70a7235d934b8e8bb649e45018109d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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