HRID158283

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7912

Diisopropylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID13514091

1-Methyl-4-(prop-2-yn-1-yl)piperazine

C8H14N2

结构：O=C1c2c(Cl)cc(Br)cc2CN1Cc1ccc(Oc2ccccc2)cc1

HCID57949670

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(CC#Cc2cc(Cl)c3c(c2)CN(Cc2ccc(Oc4ccccc4)cc2)C3=O)CC1

HCID57949775

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-11158e77ee734b7e842697f202d3041e
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

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