HRID118806

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

HCID30165

Iodide ion

I-

HCID71081

Oxalic acid, ion(2-)

C2O4-2

HCID336652

1-(prop-2-yn-1-yl)piperidine

C8H13N

HCID23150313

未命名化合物

PRODUCTS

生成物

结构：C(#Cc1ccc(-c2ccc(OCCCN3CCCCC3)cc2)cc1)CN1CCCCC1

HCID23150257

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c96a83996b80489889f54ac2c8874e5a
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

[Br:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([O:14][CH2:15][CH2:16][CH2:17][N:18]3[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]3)[cH:12][cH:13]2)[cH:6][cH:7]1.[C:53]([O-:54])(=[O:55])[C:56]([O-:57])=[O:58].[CH2:24]([C:25]#[CH:26])[N:27]1[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]1.[CH3:59][CH2:60][N:61]([CH2:62][CH3:63])[CH2:64][CH3:65].[I-:33].[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>>[c:2]1([C:26]#[C:25][CH2:24][N:27]2[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]2)[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([O:14][CH2:15][CH2:16][CH2:17][N:18]3[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]3)[cH:12][cH:13]2)[cH:6][cH:7]1