HRID2159560

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID284

Formic acid

CH2O2

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15109

2,6-Dimethoxybenzoic acid

C9H10O4

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID59178006

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(OC)c1C(=O)N1CCC(CNc2nc3ccc(Cl)cc3o2)C1

HCID44610702

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-917d128beb0a44f6923a988628f79ab2
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-:32]([F:33])([F:34])([F:35])[F:36].[CH3:19][O:20][c:21]1[c:22]([C:23](=[O:24])[OH:25])[c:26]([O:30][CH3:31])[cH:27][cH:28][cH:29]1.[CH:59]([N:60]([CH2:61][CH3:62])[CH:63]([CH3:64])[CH3:65])([CH3:66])[CH3:67].[CH:68]([OH:69])=[O:70].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([n:6][c:7]([NH:9][CH2:10][CH:11]3[CH2:12][NH:13][CH2:14][CH2:15]3)[o:8]2)[cH:16][cH:17]1.[ClH:18].[O:54]=[CH:55][N:56]([CH3:57])[CH3:58].[n:37]1([O:38][C:39]([N:40]([CH3:41])[CH3:42])=[N+:43]([CH3:44])[CH3:45])[c:46]2[cH:47][cH:48][cH:49][cH:50][c:51]2[n:52][n:53]1>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([n:6][c:7]([NH:9][CH2:10][CH:11]3[CH2:12][N:13]([C:23]([c:22]4[c:21]([O:20][CH3:19])[cH:29][cH:28][cH:27][c:26]4[O:30][CH3:31])=[O:24])[CH2:14][CH2:15]3)[o:8]2)[cH:16][cH:17]1