HRID156038

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID23305

1H-Indole, 2,3-dihydro-2-methyl-

C9H11N

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

结构：O=C(O)c1ccnc(Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)c1

HCID58117523

未命名化合物

PRODUCTS

生成物

结构：CC1Cc2ccccc2N1C(=O)c1ccnc(Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)c1

HCID49801375

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2824a8d656354a51b48e6c0318e51781
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[B-:48]([F:49])([F:50])([F:51])[F:52].[CH3:29][CH:30]1[NH:31][c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]2[CH2:38]1.[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[O:1]=[C:2]1[NH:3][c:4]2[n:5][cH:6][cH:7][cH:8][c:9]2[C:10]12[CH2:11][c:12]1[cH:13][cH:14][c:15]([NH:19][c:20]3[cH:21][c:22]([C:23](=[O:24])[OH:25])[cH:26][cH:27][n:28]3)[cH:16][c:17]1[CH2:18]2.[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[n:53]1([O:54][C:55]([N:56]([CH3:57])[CH3:58])=[N+:59]([CH3:60])[CH3:61])[c:62]2[cH:63][cH:64][cH:65][cH:66][c:67]2[n:68][n:69]1>>[O:1]=[C:2]1[NH:3][c:4]2[n:5][cH:6][cH:7][cH:8][c:9]2[C:10]12[CH2:11][c:12]1[cH:13][cH:14][c:15]([NH:19][c:20]3[cH:21][c:22]([C:23](=[O:24])[N:31]4[CH:30]([CH3:29])[CH2:38][c:37]5[c:32]4[cH:33][cH:34][cH:35][cH:36]5)[cH:26][cH:27][n:28]3)[cH:16][c:17]1[CH2:18]2