HRID1125452

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID6342

Acetonitrile

C2H3N

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

结构：CCOC(=O)c1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1

HCID19092714

未命名化合物

HCID19603806

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccccc1C=Cc1ccc2oc(-c3nc(C(C)(C)C)cs3)cc2c1

HCID53983227

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-442f206404ff4c24b20b6cf22074baf5
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

[Br-:1].[C:33]([CH3:34])([CH3:35])([CH3:36])[c:37]1[n:38][c:39](-[c:42]2[o:43][c:44]3[c:45]([cH:46]2)[cH:47][c:48]([CH:51]=[O:52])[cH:49][cH:50]3)[s:40][cH:41]1.[CH2:2]([CH3:3])[O:4][C:5](=[O:6])[c:7]1[c:8]([CH2:9][P+:10]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)([c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[cH:29][cH:30][cH:31][cH:32]1.[CH3:53][C:54]#[N:55].[N:56]12[CH2:57][CH2:58][CH2:59][N:60]=[C:61]1[CH2:62][CH2:63][CH2:64][CH2:65][CH2:66]2>>[CH2:2]([CH3:3])[O:4][C:5](=[O:6])[c:7]1[c:8]([CH:9]=[CH:51][c:48]2[cH:47][c:45]3[c:44]([o:43][c:42](-[c:39]4[n:38][c:37]([C:33]([CH3:34])([CH3:35])[CH3:36])[cH:41][s:40]4)[cH:46]3)[cH:50][cH:49]2)[cH:29][cH:30][cH:31][cH:32]1