HRID177811

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID283

Formic acid, ion(1-)

CHO2-

HCID887

Methanol

CH4O

反应SMILES：CCC1CCc2ncnc(N3CC4(CCN(Cc5ccccc5)CC4)c4c(CNC(C)C)cccc43)c21

HCID69811460

未命名化合物

PRODUCTS

产物

反应SMILES：CCC1CCc2ncnc(N3CC4(CCNCC4)c4c(CNC(C)C)cccc43)c21

HCID68736297

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-51a208732619427c8ca249353a588f19
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

[CH2:5]([c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[N:12]1[CH2:13][CH2:14][C:15]2([CH2:16][N:17]([c:29]3[c:30]4[c:31]([n:32][cH:33][n:34]3)[CH2:35][CH2:36][CH:37]4[CH2:38][CH3:39])[c:18]3[cH:19][cH:20][cH:21][c:22]([CH2:24][NH:25][CH:26]([CH3:27])[CH3:28])[c:23]32)[CH2:40][CH2:41]1.[CH3:42][OH:43].[CH:1]([O-:2])=[O:3].[NH4+:4]>>[NH:12]1[CH2:13][CH2:14][C:15]2([CH2:16][N:17]([c:29]3[c:30]4[c:31]([n:32][cH:33][n:34]3)[CH2:35][CH2:36][CH:37]4[CH2:38][CH3:39])[c:18]3[cH:19][cH:20][cH:21][c:22]([CH2:24][NH:25][CH:26]([CH3:27])[CH3:28])[c:23]32)[CH2:40][CH2:41]1