HRID689028

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID32935

3-Octene

C8H16

HCID61230

Diazodiphenylmethane

C13H10N2

结构：CC1=C(C(=O)O)N2C(=O)C(NC(c3ccccc3)(c3ccccc3)c3ccccc3)C2SC1

HCID20514811

未命名化合物

PRODUCTS

生成物

结构：CC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(NC(c3ccccc3)(c3ccccc3)c3ccccc3)C2SC1

HCID20281164

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-74f2748babe74084ac57cf8d3841fa07
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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