HRID175069

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1833

5-Methoxy-1H-indole-3-ethanamine

C11H14N2O

HCID26255

Tetrafluoroborate

BF4-

HCID130500

未命名化合物

结构：NC(=N[N+](=O)[O-])NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)O

HCID178513200

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2[nH]cc(CCNC(=O)C(CCCNC(N)=N[N+](=O)[O-])NC(=O)C(c3ccccc3)c3ccccc3)c2c1

HCID178488075

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6bb1677031534f49b3d3211c3d8142b9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[B-:45]([F:46])([F:47])([F:48])[F:49].[CH3:31][O:32][c:33]1[cH:34][cH:35][c:36]2[nH:37][cH:38][c:39]([CH2:40][CH2:41][NH2:42])[c:43]2[cH:44]1.[NH2:1][C:2]([NH:3][CH2:4][CH2:5][CH2:6][CH:7]([NH:8][C:9]([CH:10]([c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)=[O:23])[C:24](=[O:25])[OH:26])=[N:27][N+:28](=[O:29])[O-:30].[n:50]1([O:51][C:52]([N:53]([CH3:54])[CH3:55])=[N+:56]([CH3:57])[CH3:58])[c:59]2[cH:60][cH:61][cH:62][cH:63][c:64]2[n:65][n:66]1>>[NH2:1][C:2]([NH:3][CH2:4][CH2:5][CH2:6][CH:7]([NH:8][C:9]([CH:10]([c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)=[O:23])[C:24](=[O:26])[NH:42][CH2:41][CH2:40][c:39]1[cH:38][nH:37][c:36]2[cH:35][cH:34][c:33]([O:32][CH3:31])[cH:44][c:43]21)=[N:27][N+:28](=[O:29])[O-:30]