HRID1233331

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID10328

Indoline

C8H9N

HCID26255

Tetrafluoroborate

BF4-

HCID130500

未命名化合物

结构：CN1C(=O)NC(=O)C12Cc1ccc(Nc3cc(C(=O)O)ncn3)cc1C2

HCID58117534

未命名化合物

PRODUCTS

生成物

结构：CN1C(=O)NC(=O)C12Cc1ccc(Nc3cc(C(=O)N4CCc5ccccc54)ncn3)cc1C2

HCID42610258

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3ca7a341985f4df8b3624abd8382b700
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[B-:43]([F:44])([F:45])([F:46])[F:47].[CH2:27]1[CH2:28][c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]2[NH:35]1.[CH3:1][N:2]1[C:3](=[O:26])[NH:4][C:5](=[O:25])[C:6]12[CH2:7][c:8]1[cH:9][cH:10][c:11]([NH:15][c:16]3[cH:17][c:18]([C:22](=[O:23])[OH:24])[n:19][cH:20][n:21]3)[cH:12][c:13]1[CH2:14]2.[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[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>>[CH3:1][N:2]1[C:3](=[O:26])[NH:4][C:5](=[O:25])[C:6]12[CH2:7][c:8]1[cH:9][cH:10][c:11]([NH:15][c:16]3[cH:17][c:18]([C:22](=[O:24])[N:35]4[CH2:27][CH2:28][c:29]5[cH:30][cH:31][cH:32][cH:33][c:34]54)[n:19][cH:20][n:21]3)[cH:12][c:13]1[CH2:14]2