HRID673256

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID23305

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

C9H11N

HCID26255

Tetrafluoroborate

BF4-

HCID130500

未命名化合物

结构：O=C(O)c1cc(Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)ncn1

HCID58117493

未命名化合物

PRODUCTS

生成物

结构：CC1Cc2ccccc2N1C(=O)c1cc(Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)ncn1

HCID49800797

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-064f798b0864453996cbc808a75a22a9
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-:40]([F:41])([F:42])([F:43])[F:44].[CH3:30][CH:31]1[NH:32][c:33]2[cH:34][cH:35][cH:36][cH:37][c:38]2[CH2:39]1.[ClH:1].[O:2]=[C:3]1[NH:4][c:5]2[n:6][cH:7][cH:8][cH:9][c:10]2[C:11]12[CH2:12][c:13]1[cH:14][cH:15][c:16]([NH:20][c:21]3[cH:22][c:23]([C:27](=[O:28])[OH:29])[n:24][cH:25][n:26]3)[cH:17][c:18]1[CH2:19]2.[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[n:45]1([O:46][C:47]([N:48]([CH3:49])[CH3:50])=[N+:51]([CH3:52])[CH3:53])[c:54]2[cH:55][cH:56][cH:57][cH:58][c:59]2[n:60][n:61]1>>[O:2]=[C:3]1[NH:4][c:5]2[n:6][cH:7][cH:8][cH:9][c:10]2[C:11]12[CH2:12][c:13]1[cH:14][cH:15][c:16]([NH:20][c:21]3[cH:22][c:23]([C:27](=[O:29])[N:32]4[CH:31]([CH3:30])[CH2:39][c:38]5[c:33]4[cH:34][cH:35][cH:36][cH:37]5)[n:24][cH:25][n:26]3)[cH:17][c:18]1[CH2:19]2