HRID172348

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID11776

Triphenylphosphine

C18H15P

HCID12269

Benzene, 1-chloro-3-iodo-

C6H4ClI

HCID78966

9-Borabicyclo[3.3.1]nonane

C8H15B

HCID11162158

未命名化合物

PRODUCTS

生成物

结构：Clc1cccc(CCC2CN(Cc3ccccc3)CCN2Cc2ccccc2)c1

HCID21093613

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d49d70a9fe254c3f81f4b796a8290632
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH:9]([CH:21]=[CH2:22])[CH2:10][N:11]([CH2:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[CH2:12][CH2:13]1.[CH:23]12[CH2:24][CH2:25][CH2:26][CH:27]([BH:28]1)[CH2:29][CH2:30][CH2:31]2.[I:32][c:33]1[cH:34][c:35]([Cl:39])[cH:36][cH:37][cH:38]1.[Na+:60].[OH-:59].[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>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH:9]([CH2:21][CH2:22][c:33]2[cH:34][c:35]([Cl:39])[cH:36][cH:37][cH:38]2)[CH2:10][N:11]([CH2:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[CH2:12][CH2:13]1