HRID675251

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-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID3855943

2-Isopropylpyrrolidine

C7H15N

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：CC(C)C1CCCN1C(=O)c1cc2cc(C(=O)N3CCN(C(C)C)CC3)ccc2[nH]1

HCID68682677

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c7d45e131123449cb0a7c176346a43e2
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].[CH3:64][N:65]([CH3:66])[CH:67]=[O:68].[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:47]([CH3:48])([CH3:49])[CH:50]1[NH:51][CH2:52][CH2:53][CH2:54]1.[CH:55]([N:56]([CH2:57][CH3:58])[CH:59]([CH3:60])[CH3:61])([CH3:62])[CH3:63].[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:22])[N:51]4[CH:50]([CH:47]([CH3:48])[CH3:49])[CH2:54][CH2:53][CH2:52]4)[nH:17][c:18]3[cH:19][cH:20]2)[CH2:8][CH2:9]1