HRID115395

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID11776

Triphenylphosphine

C18H15P

HCID45115767

3-[4-(2-Fluoroethyl)piperazin-1-yl]propan-1-ol

C9H19FN2O

结构：COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1O

HCID135530832

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCN(CCF)CC1

HCID10196058

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eae5a6497e314aa492ac396cf455ac22
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

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