HRID2312554

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID11205

Carbon tetrabromide

CBr4

HCID11776

Triphenylphosphine

C18H15P

HCID81531

Diisopropylethylamine

C8H19N

HCID21717027

Ethyl azetidine-3-carboxylate

C6H11NO2

结构：OCc1ccc(-c2noc(-c3cc(-c4ccccc4)c(C(F)(F)F)s3)n2)s1

HCID68522049

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1CN(Cc2ccc(-c3noc(-c4cc(-c5ccccc5)c(C(F)(F)F)s4)n3)s2)C1

HCID68525948

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-20c4ed36c35e49d3b53f8be37fb636df
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:28]([Br:29])([Br:30])([Br:31])[Br:32].[CH:62]([N:63]([CH2:64][CH3:65])[CH:66]([CH3:67])[CH3:68])([CH3:69])[CH3:70].[ClH:52].[NH:53]1[CH2:54][CH:55]([C:57](=[O:58])[O:59][CH2:60][CH3:61])[CH2:56]1.[c:1]1(-[c:7]2[cH:8][c:9](-[c:16]3[n:17][c:18](-[c:21]4[cH:22][cH:23][c:24]([CH2:26][OH:27])[s:25]4)[n:19][o:20]3)[s:10][c:11]2[C:12]([F:13])([F:14])[F:15])[cH:2][cH:3][cH:4][cH:5][cH:6]1.[c:33]1([P:34]([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[cH:47][cH:48][cH:49][cH:50][cH:51]1>>[c:1]1(-[c:7]2[cH:8][c:9](-[c:16]3[n:17][c:18](-[c:21]4[cH:22][cH:23][c:24]([CH2:26][N:53]5[CH2:54][CH:55]([C:57](=[O:58])[O:59][CH2:60][CH3:61])[CH2:56]5)[s:25]4)[n:19][o:20]3)[s:10][c:11]2[C:12]([F:13])([F:14])[F:15])[cH:2][cH:3][cH:4][cH:5][cH:6]1