HRID1555754

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID813

Potassium cation

K+

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID74506

Triphenylmethylphosphonium

C19H18P+

HCID4574913

未命名化合物

结构：O=C1CN(C(=O)c2ccc(F)c(F)c2Nc2ccc(I)cc2F)C1

HCID16223411

未命名化合物

PRODUCTS

生成物

结构：C=C1CN(C(=O)c2ccc(F)c(F)c2Nc2ccc(I)cc2F)C1

HCID67051531

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c009dcc18f5743fe93b9325313faa17b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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