HRID698688

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID26255

Tetrafluoroborate

BF4-

HCID130500

未命名化合物

HCID21942315

1-(Oxan-4-yl)piperazine

C9H18N2O

结构：Cc1cc(CC(OC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)O)cc(Cl)c1OCc1ccccc1

HCID66941847

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(CC(OC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N2CCN(C3CCOCC3)CC2)cc(Cl)c1OCc1ccccc1

HCID68676854

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6cb17bfc473945ea8bb09895d885ae1a
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-:43]([F:44])([F:45])([F:46])[F:47].[CH3:65][CH2:66][N:67]([CH2:68][CH3:69])[CH2:70][CH3:71].[O:1]=[C:2]1[NH:3][c:4]2[c:5]([cH:39][cH:40][cH:41][cH:42]2)[CH2:6][CH2:7][N:8]1[CH:9]1[CH2:10][CH2:11][N:12]([C:15](=[O:16])[O:17][CH:18]([CH2:19][c:20]2[cH:21][c:22]([Cl:35])[c:23]([O:27][CH2:28][c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[c:24]([CH3:26])[cH:25]2)[C:36](=[O:37])[OH:38])[CH2:13][CH2:14]1.[O:72]1[CH2:73][CH2:74][CH:75]([N:78]2[CH2:79][CH2:80][NH:81][CH2:82][CH2:83]2)[CH2:76][CH2:77]1.[O:84]=[CH:85][N:86]([CH3:87])[CH3:88].[n:48]1([O:49][C:50]([N:51]([CH3:52])[CH3:53])=[N+:54]([CH3:55])[CH3:56])[c:57]2[cH:58][cH:59][cH:60][cH:61][c:62]2[n:63][n:64]1>>[O:1]=[C:2]1[NH:3][c:4]2[c:5]([cH:39][cH:40][cH:41][cH:42]2)[CH2:6][CH2:7][N:8]1[CH:9]1[CH2:10][CH2:11][N:12]([C:15](=[O:16])[O:17][CH:18]([CH2:19][c:20]2[cH:21][c:22]([Cl:35])[c:23]([O:27][CH2:28][c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[c:24]([CH3:26])[cH:25]2)[C:36](=[O:38])[N:81]2[CH2:80][CH2:79][N:78]([CH:75]3[CH2:74][CH2:73][O:72][CH2:77][CH2:76]3)[CH2:83][CH2:82]2)[CH2:13][CH2:14]1