HRID152525

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

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

HCID11632807

未命名化合物

HCID13514091

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

C8H14N2

PRODUCTS

生成物

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

HCID57949390

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b3e74aab7fb642a49bbc01bc575e6a2c
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]([C:30]([F:31])([F:32])[F:33])[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:34]([NH:35][CH:36]([CH3:37])[CH3:38])([CH3:39])[CH3:40].[Cu:82][I:83].[Pd:41]([Cl:42])[Cl:43].[c:44]1([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[cH:58][cH:59][cH:60][cH:61][cH:62]1.[c:63]1([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[cH:77][cH:78][cH:79][cH:80][cH:81]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]([C:30]([F:31])([F:32])[F:33])[cH:28][cH:29]2)[CH2:15]3)[CH2:6][CH2:7]1