HRID210244

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8058

n-Hexane

C6H14

HCID15891

Phenyl carbonochloridate

C7H5ClO2

结构：FC(F)(F)c1ccc(OC2(c3ccccc3)CCN(Cc3ccccc3)CC2)cc1

HCID21428703

4-Phenyl-1-(phenylmethyl)-4-[4-(trifluoromethyl)phenoxy]piperidine

C25H24F3NO

PRODUCTS

生成物

结构：O=C(Oc1ccccc1)N1CCC(Oc2ccc(C(F)(F)F)cc2)(c2ccccc2)CC1

HCID21428717

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-00a985b691e24f6ca2e090cc941290ce
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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