HRID1231218

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID259

Bromide

Br-

HCID312

Chloride

Cl-

HCID8028

Tetrahydrofuran

C4H8O

HCID74506

Triphenylmethylphosphonium

C19H18P+

结构：CC(C)(C)c1cccc(C(=O)c2cccc(-c3ccccn3)c2)c1OCc1ccccc1

HCID58238568

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：C=C(c1cccc(-c2ccccn2)c1)c1cccc(C(C)(C)C)c1OCc1ccccc1

HCID58238565

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-587ea36434174371b6bb564b7057c2d2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br-:40].[CH2:1]([Li:2])[CH2:3][CH2:4][CH3:5].[CH2:6]([c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[O:13][c:14]1[c:15]([C:24](=[O:25])[c:26]2[cH:27][c:28](-[c:32]3[n:33][cH:34][cH:35][cH:36][cH:37]3)[cH:29][cH:30][cH:31]2)[cH:16][cH:17][cH:18][c:19]1[C:20]([CH3:21])([CH3:22])[CH3:23].[CH3:41][P+:42]([c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1)([c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1)[c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[Cl-:38].[NH4+:39].[O:61]1[CH2:62][CH2:63][CH2:64][CH2:65]1>>[CH2:1]=[C:24]([c:15]1[c:14]([O:13][CH2:6][c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[c:19]([C:20]([CH3:21])([CH3:22])[CH3:23])[cH:18][cH:17][cH:16]1)[c:26]1[cH:27][c:28](-[c:32]2[n:33][cH:34][cH:35][cH:36][cH:37]2)[cH:29][cH:30][cH:31]1