HRID671695

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID69381

Piperidine, 4-methyl-

C6H13N

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

结构：CC(C)N1CCN(C(=O)c2ccc3[nH]c(C(=O)O)cc3c2)CC1

HCID68534120

未命名化合物

PRODUCTS

生成物

结构：CC1CCN(C(=O)c2cc3cc(C(=O)N4CCN(C(C)C)CC4)ccc3[nH]2)CC1

HCID68680243

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-611c40049d404ee0b75796dad7507f07
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-:25]([F:26])([F:27])([F:28])[F:29].[CH3:47][CH:48]1[CH2:49][CH2:50][NH:51][CH2:52][CH2:53]1.[CH3:63][N:64]([CH3:65])[CH:66]=[O:67].[CH:1]([CH3:2])([CH3:3])[N:4]1[CH2:5][CH2:6][N:7]([C:10](=[O:11])[c:12]2[cH:13][c:14]3[cH:15][c:16]([C:21](=[O:22])[OH:23])[nH:17][c:18]3[cH:19][cH:20]2)[CH2:8][CH2:9]1.[CH:54]([N:55]([CH2:56][CH3:57])[CH:58]([CH3:59])[CH3:60])([CH3:61])[CH3:62].[ClH:24].[n:30]1([O:31][C:32]([N:33]([CH3:34])[CH3:35])=[N+:36]([CH3:37])[CH3:38])[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1>>[CH:1]([CH3:2])([CH3:3])[N:4]1[CH2:5][CH2:6][N:7]([C:10](=[O:11])[c:12]2[cH:13][c:14]3[cH:15][c:16]([C:21](=[O:23])[N:51]4[CH2:50][CH2:49][CH:48]([CH3:47])[CH2:53][CH2:52]4)[nH:17][c:18]3[cH:19][cH:20]2)[CH2:8][CH2:9]1