HRID2160736

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID26255

Tetrafluoroborate

BF4-

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID11412944

1-(3-chloropyridin-2-yl)piperazine

C9H12ClN3

HCID57951450

未命名化合物

PRODUCTS

生成物

结构：O=C(C1CCC2(CC1)CC(c1ccccc1)=NO2)N1CCN(c2ncccc2Cl)CC1

HCID11976243

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ed933a4f782e40978fff2fde010be915
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[B-:40]([F:41])([F:42])([F:43])[F:44].[CH2:20]([N:21]([CH:22]([CH3:23])[CH3:24])[CH:25]([CH3:26])[CH3:27])[CH3:28].[CH2:75]1[O:76][CH2:77][CH2:78][CH2:79]1.[Cl:62][c:63]1[c:64]([N:69]2[CH2:70][CH2:71][NH:72][CH2:73][CH2:74]2)[n:65][cH:66][cH:67][cH:68]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:18])[N:72]2[CH2:71][CH2:70][N:69]([c:64]4[c:63]([Cl:62])[cH:68][cH:67][cH:66][n:65]4)[CH2:74][CH2:73]2)[CH2:15][CH2:16]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1