HRID311690

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID887

Methanol

CH4O

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID2724035

6-Chloro-3-nitropyridin-2-ylamine

C5H4ClN3O2

结构：NCCN1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CC1

HCID12891741

未命名化合物

PRODUCTS

生成物

结构：Nc1nc(NCCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-]

HCID13588113

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c8b5da39bc7041a0b72ea1d58b22e283
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:39][N:40]1[CH2:41][CH2:42][CH2:43][C:44]1=[O:45].[CH3:47][OH:48].[Cl:1][c:2]1[cH:3][cH:4][c:5]([N+:9](=[O:10])[O-:11])[c:6]([NH2:8])[n:7]1.[NH2:12][CH2:13][CH2:14][N:15]1[CH2:16][CH2:17][CH:18]([NH:21][c:22]2[n:23][c:24]3[c:25]([n:26]2[CH2:27][c:28]2[cH:29][cH:30][c:31]([F:34])[cH:32][cH:33]2)[cH:35][cH:36][cH:37][cH:38]3)[CH2:19][CH2:20]1.[NH3:46]>>[c:2]1([NH:12][CH2:13][CH2:14][N:15]2[CH2:16][CH2:17][CH:18]([NH:21][c:22]3[n:23][c:24]4[c:25]([n:26]3[CH2:27][c:28]3[cH:29][cH:30][c:31]([F:34])[cH:32][cH:33]3)[cH:35][cH:36][cH:37][cH:38]4)[CH2:19][CH2:20]2)[cH:3][cH:4][c:5]([N+:9](=[O:10])[O-:11])[c:6]([NH2:8])[n:7]1