HRID1149554

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID12378900

3-Methyl-3,8-diazabicyclo[3.2.1]octane

C7H14N2

结构：COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)O)=Cc1ccccc1-3

HCID16072745

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1C2CCC1CN(C)C2)=Cc1ccccc1-3

HCID57639132

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-68459245ca444a23991657bb20228abb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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