HRID1138972

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID11776

Triphenylphosphine

C18H15P

HCID67993

lpha,alpha,alpha-Trifluoro-4-iodotoluene

C7H4F3I

HCID78966

9-Borabicyclo[3.3.1]nonane

C8H15B

HCID11162158

未命名化合物

PRODUCTS

生成物

结构：FC(F)(F)c1ccc(CCC2CN(Cc3ccccc3)CCN2Cc2ccccc2)cc1

HCID21093620

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9972125cb22645f89f4e11cf95769ee2
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

[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][cH:35][c:36]([C:39]([F:40])([F:41])[F:42])[cH:37][cH:38]1.[Na+:63].[OH-:62].[c:43]1([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[cH:57][cH:58][cH:59][cH:60][cH:61]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][cH:35][c:36]([C:39]([F:40])([F:41])[F:42])[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