HRID195108

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID9321

Hydrazine

H4N2

结构：Cc1cc2nc(CN(CCCCN3C(=O)c4ccccc4C3=O)C3CCCc4cccnc43)[nH]c2cc1C

HCID69177661

未命名化合物

PRODUCTS

生成物

结构：Cc1cc2nc(CN(CCCCN)C3CCCc4cccnc43)[nH]c2cc1C

HCID59694186

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3bc3b8224c7048d6aba7ce0ed08d3684
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

[CH3:1][c:2]1[cH:3][c:4]2[c:5]([nH:6][c:7]([CH2:9][N:10]([CH2:11][CH2:12][CH2:13][CH2:14][N:15]3[C:16](=[O:17])[c:18]4[c:19]([cH:20][cH:21][cH:22][cH:23]4)[C:24]3=[O:25])[CH:26]3[CH2:27][CH2:28][CH2:29][c:30]4[cH:31][cH:32][cH:33][n:34][c:35]43)[n:8]2)[cH:36][c:37]1[CH3:38].[CH3:42][CH2:43][OH:44].[CH3:45][CH2:46][O:47][CH2:48][CH3:49].[NH2:40][NH2:41].[OH2:39]>>[CH3:1][c:2]1[cH:3][c:4]2[c:5]([n:6][c:7]([CH2:9][N:10]([CH2:11][CH2:12][CH2:13][CH2:14][NH2:15])[CH:26]3[CH2:27][CH2:28][CH2:29][c:30]4[cH:31][cH:32][cH:33][n:34][c:35]43)[nH:8]2)[cH:36][c:37]1[CH3:38]