HRID172407

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11773

Triphenylarsine

C18H15As

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID23938

Palladium

2 次

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID10264463

2-Chloro-3-fluoro-5-iodopyridine

C5H2ClFIN

结构：CC(C)(C)OC(=O)N1CC2C=C([Sn](C)(C)C)CC2C1

HCID178451508

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC2C=C(c3cnc(Cl)c(F)c3)CC2C1

HCID178451466

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-92f0677a9fb142a7b3d6ba806ed7d799
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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