HRID665049

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID28486

Lithium ion

Li+

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

结构：CC(C)N1CCC(Oc2cc3cc(C(=O)O)[nH]c3cc2Cl)CC1

HCID67017906

未命名化合物

PRODUCTS

生成物

结构：CC(C)N1CCC(Oc2cc3cc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)[nH]c3cc2Cl)CC1

HCID68564960

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-77cd2089f9a14b299d119d23dc9e6ee5
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

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