HRID94603

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID813

Potassium cation

K+

HCID8028

Tetrahydrofuran

C4H8O

HCID74506

Triphenylmethylphosphonium

C19H18P+

HCID4574913

未命名化合物

结构：Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(=O)c3cc(Cl)ccc32)cn1

HCID22903513

未命名化合物

PRODUCTS

生成物

结构：C=C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)nc2)c2ccc(Cl)cc21

HCID22903466

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a09c1191ddf14e3c9f2c21f739473bfd
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

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