HRID1145780

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID7892

2-Methylpentane

C6H14

HCID8028

Tetrahydrofuran

C4H8O

HCID122573

3,5-Bis(trifluoromethyl)benzyl bromide

C9H5BrF6

HCID166653

Hydride

H-

HCID69684694

未命名化合物

PRODUCTS

生成物

结构：Fc1ccc(C23CCC(CCC2OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)N3Cc2ccccc2)cc1

HCID88039271

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da50ada01fa54afd94f8103d060c3c46
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

[CH2:3]1[O:4][CH2:5][CH2:6][CH2:7]1.[CH2:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[N:15]1[C:16]2([c:24]3[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]3)[CH:17]([OH:23])[CH2:18][CH2:19][CH:20]1[CH2:21][CH2:22]2.[CH3:47][CH2:48][CH2:49][CH:50]([CH3:51])[CH3:52].[F:31][C:32]([c:33]1[cH:34][c:35]([CH2:36][Br:37])[cH:38][c:39]([C:41]([F:42])([F:43])[F:44])[cH:40]1)([F:45])[F:46].[H-:1].[Na+:2].[OH2:53]>>[CH2:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[N:15]1[C:16]2([c:24]3[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]3)[CH:17]([O:23][CH2:36][c:35]3[cH:34][c:33]([C:32]([F:31])([F:45])[F:46])[cH:40][c:39]([C:41]([F:42])([F:43])[F:44])[cH:38]3)[CH2:18][CH2:19][CH:20]1[CH2:21][CH2:22]2