HRID682733

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID70770

Ethyl 4-piperidinecarboxylate

C8H15NO2

HCID76257

Diethylphosphorocyanidate

C5H10NO3P

结构：CC(C)CC1C(=O)N(CC(=O)O)CC(c2ccccc2Br)c2cc(Cl)ccc21

HCID59025465

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1CCN(C(=O)CN2CC(c3ccccc3Br)c3cc(Cl)ccc3C(CC(C)C)C2=O)CC1

HCID59025498

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-826c48815d504f61ab5ca500684c0826
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

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