HRID1142582

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8082

Piperidine

C5H11N

HCID11776

Triphenylphosphine

C18H15P

HCID14268

4-Bromopyridine

C5H4BrN

HCID24350

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

CuI

结构：C#CC1(c2ccc(OC)c(OC3CCCC3)c2)CCC2(CC1)OCCO2

HCID11089596

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C2(C#Cc3ccncc3)CCC3(CC2)OCCO3)cc1OC1CCCC1

HCID54401796

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-87b3df4a477d46a28688181ad8cdd253
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:27][c:28]1[cH:29][cH:30][n:31][cH:32][cH:33]1.[CH2:54]1[CH2:55][CH2:56][NH:57][CH2:58][CH2:59]1.[CH:1]1([O:6][c:7]2[cH:8][c:9]([C:15]3([C:25]#[CH:26])[CH2:16][CH2:17][C:18]4([CH2:19][CH2:20]3)[O:21][CH2:22][CH2:23][O:24]4)[cH:10][cH:11][c:12]2[O:13][CH3:14])[CH2:2][CH2:3][CH2:4][CH2:5]1.[Cu:60][I:61].[OH2:53].[c:34]1([P:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[cH:48][cH:49][cH:50][cH:51][cH:52]1>>[CH:1]1([O:6][c:7]2[cH:8][c:9]([C:15]3([C:25]#[C:26][c:28]4[cH:29][cH:30][n:31][cH:32][cH:33]4)[CH2:16][CH2:17][C:18]4([CH2:19][CH2:20]3)[O:21][CH2:22][CH2:23][O:24]4)[cH:10][cH:11][c:12]2[O:13][CH3:14])[CH2:2][CH2:3][CH2:4][CH2:5]1