HRID1237913

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

HCID10999135

未命名化合物

HCID20132751

Methyl azetidine-3-carboxylate

C5H9NO2

结构：Cc1nc(CO)ccc1-c1noc(-c2ccc(CC(C)C)c(Cl)c2)n1

HCID68524277

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1CN(Cc2ccc(-c3noc(-c4ccc(CC(C)C)c(Cl)c4)n3)c(C)n2)C1

HCID68526578

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6d42494c7d8f48249e4c56f956d7a49c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:1]([Si:2]([CH3:3])([CH3:4])[O:5][CH2:6][c:7]1[o:8][c:9]([CH:10]=[O:11])[cH:12][cH:13]1)([CH3:14])([CH3:15])[CH3:16].[C:42]([Br:43])([Br:44])([Br:45])[Br:46].[CH:75]([N:76]([CH2:77][CH3:78])[CH:79]([CH3:80])[CH3:81])([CH3:82])[CH3:83].[Cl:17][c:18]1[cH:19][c:20](-[c:28]2[n:29][c:30](-[c:33]3[cH:34][cH:35][c:36]([CH2:40][OH:41])[n:37][c:38]3[CH3:39])[n:31][o:32]2)[cH:21][cH:22][c:23]1[CH2:24][CH:25]([CH3:26])[CH3:27].[ClH:66].[NH:67]1[CH2:68][CH:69]([C:71](=[O:72])[O:73][CH3:74])[CH2:70]1.[c:47]1([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[cH:61][cH:62][cH:63][cH:64][cH:65]1>>[Cl:17][c:18]1[cH:19][c:20](-[c:28]2[n:29][c:30](-[c:33]3[cH:34][cH:35][c:36]([CH2:40][N:67]4[CH2:68][CH:69]([C:71](=[O:72])[O:73][CH3:74])[CH2:70]4)[n:37][c:38]3[CH3:39])[n:31][o:32]2)[cH:21][cH:22][c:23]1[CH2:24][CH:25]([CH3:26])[CH3:27]