HRID141647

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID2756977

3-Bromo-4'-fluorobiphenyl

C12H8BrF

结构：CC(=O)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

HCID10428090

1-(1-trityl-1H-imidazol-4-yl)ethanone

C24H20N2O

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CC(O)(c1cccc(-c2ccc(F)cc2)c1)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

HCID18668514

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8828ec7bae9f4616a5eaea9c6d195cf0
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

[Br:1][c:2]1[cH:3][c:4](-[c:8]2[cH:9][cH:10][c:11]([F:14])[cH:12][cH:13]2)[cH:5][cH:6][cH:7]1.[C:20]([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)([c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)([c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)[n:39]1[cH:40][n:41][c:42]([C:44]([CH3:45])=[O:46])[cH:43]1.[CH2:15]([Li:16])[CH2:17][CH2:18][CH3:19].[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]1.[CH3:54][CH2:55][CH2:56][CH2:57][CH2:58][CH3:59].[Cl-:47].[NH4+:48]>>[c:2]1([C:44]([c:42]2[n:41][cH:40][n:39]([C:20]([c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)([c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[cH:43]2)([CH3:45])[OH:46])[cH:3][c:4](-[c:8]2[cH:9][cH:10][c:11]([F:14])[cH:12][cH:13]2)[cH:5][cH:6][cH:7]1