HRID677709

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID11379587

3-piperidin-4-yl-1,3,4,5-tetrahydro-1,3-benzdiazepin-2-one

C14H19N3O

结构：O=C(O)CC1Cc2cc(Br)c3[nH]nc(Br)c3c2CN(CC(F)(F)F)C1=O

HCID178525002

未命名化合物

PRODUCTS

生成物

结构：O=C(CC1Cc2cc(Br)c3[nH]nc(Br)c3c2CN(CC(F)(F)F)C1=O)N1CCC(N2CCc3ccccc3NC2=O)CC1

HCID178520153

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-088c592fe1244936b37061892d6c89bc
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-:36]([F:37])([F:38])([F:39])[F:40].[Br:1][c:2]1[n:3][nH:4][c:5]2[c:6]([Br:26])[cH:7][c:8]3[c:9]([c:10]12)[CH2:11][N:12]([CH2:21][C:22]([F:23])([F:24])[F:25])[C:13](=[O:20])[CH:14]([CH2:16][C:17](=[O:18])[OH:19])[CH2:15]3.[CH3:76][N:77]([CH3:78])[CH:79]=[O:80].[CH:27]([N:28]([CH2:29][CH3:30])[CH:31]([CH3:32])[CH3:33])([CH3:34])[CH3:35].[NH:58]1[CH2:59][CH2:60][CH:61]([N:64]2[C:65](=[O:75])[NH:66][c:67]3[c:68]([cH:71][cH:72][cH:73][cH:74]3)[CH2:69][CH2:70]2)[CH2:62][CH2:63]1.[n:41]1([O:42][C:43]([N:44]([CH3:45])[CH3:46])=[N+:47]([CH3:48])[CH3:49])[c:50]2[cH:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]1>>[Br:1][c:2]1[n:3][nH:4][c:5]2[c:6]([Br:26])[cH:7][c:8]3[c:9]([c:10]12)[CH2:11][N:12]([CH2:21][C:22]([F:23])([F:24])[F:25])[C:13](=[O:20])[CH:14]([CH2:16][C:17](=[O:19])[N:58]1[CH2:59][CH2:60][CH:61]([N:64]2[C:65](=[O:75])[NH:66][c:67]4[c:68]([cH:71][cH:72][cH:73][cH:74]4)[CH2:69][CH2:70]2)[CH2:62][CH2:63]1)[CH2:15]3