HRID300031

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8471

Triethylamine

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

HCID66111

Trimethylsilylacetylene

C5H10Si

结构：Clc1ccc(CNC2CCN(c3ncc(Br)cn3)C2)c(Cl)c1

HCID66854039

1-(5-bromopyrimidin-2-yl)-N-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-amine

C15H15BrCl2N4

PRODUCTS

生成物

结构：C[Si](C)(C)C#Cc1cnc(N2CCC(NCc3ccc(Cl)cc3Cl)C2)nc1

HCID66854857

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-816e255d4bab42459646bb2dfca6bb44
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:23][Si:24]([CH3:25])([CH3:26])[C:27]#[CH:28].[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[Cl:1][c:2]1[c:3]([CH2:4][NH:5][CH:6]2[CH2:7][N:8]([c:11]3[n:12][cH:13][c:14]([Br:17])[cH:15][n:16]3)[CH2:9][CH2:10]2)[cH:18][cH:19][c:20]([Cl:22])[cH:21]1.[Cu:78][I:79].[OH2:36].[Pd:37]([Cl:38])[Cl:39].[c:40]1([P:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[cH:54][cH:55][cH:56][cH:57][cH:58]1.[c:59]1([P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[cH:73][cH:74][cH:75][cH:76][cH:77]1>>[Cl:1][c:2]1[c:3]([CH2:4][NH:5][CH:6]2[CH2:7][N:8]([c:11]3[n:12][cH:13][c:14]([C:28]#[C:27][Si:24]([CH3:23])([CH3:25])[CH3:26])[cH:15][n:16]3)[CH2:9][CH2:10]2)[cH:18][cH:19][c:20]([Cl:22])[cH:21]1