HRID119993

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID31275

1,4-Dioxane

C4H8O2

结构：CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1cnc(C=O)n1C

HCID22256672

未命名化合物

HCID68443831

未命名化合物

PRODUCTS

生成物

结构：Cc1c(Nc2c(C#N)cncc2-c2cnc(C=O)n2C)ccc2[nH]ccc12

HCID86616836

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1befd45538d34a09b5cf2284035d42f0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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