HRID167982

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID26255

Tetrafluoroborate

BF4-

HCID69861

4-tert-Butylaniline

C10H15N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID57951450

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(NC(=O)C2CCC3(CC2)CC(c2ccccc2)=NO3)cc1

HCID57951455

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f4054fc0c6984f24a6eb53b4894d57a9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[B-:40]([F:41])([F:42])([F:43])[F:44].[C:62]([CH3:63])([CH3:64])([CH3:65])[c:66]1[cH:67][cH:68][c:69]([NH2:70])[cH:71][cH:72]1.[CH2:20]([N:21]([CH:22]([CH3:23])[CH3:24])[CH:25]([CH3:26])[CH3:27])[CH3:28].[CH2:73]1[O:74][CH2:75][CH2:76][CH2:77]1.[OH2:29].[OH:30][n:31]1[c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]2[n:38][n:39]1.[c:1]1([C:7]2=[N:8][O:9][C:10]3([CH2:11]2)[CH2:12][CH2:13][CH:14]([C:17](=[O:18])[OH:19])[CH2:15][CH2:16]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[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>>[c:1]1([C:7]2=[N:8][O:9][C:10]3([CH2:11]2)[CH2:12][CH2:13][CH:14]([C:17](=[O:19])[NH:70][c:69]2[cH:68][cH:67][c:66]([C:62]([CH3:63])([CH3:64])[CH3:65])[cH:72][cH:71]2)[CH2:15][CH2:16]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1