HRID699211

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID527

Propanal

C3H6O

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID9005

Trimethoxymethane

C4H10O3

HCID498716

未命名化合物

结构：O=C(c1ccc(CN(Cc2ncc[nH]2)Cc2ncc[nH]2)cc1)N1CCNCC1

HCID21084462

[4-[[Bis(1H-imidazol-2-ylmethyl)amino]methyl]phenyl]-1-piperazinylmethanone

C20H25N7O

PRODUCTS

生成物

结构：CCCN1CCN(C(=O)c2ccc(CN(Cc3ncc[nH]3)Cc3ncc[nH]3)cc2)CC1

HCID10432329

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fcad4867c2bf4fcfaea283689b425c4b
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

[C:29]([BH3-:30])#[N:31].[CH3:44][OH:45].[CH:33]([O:34][CH3:35])([O:36][CH3:37])[O:38][CH3:39].[CH:40]([CH2:41][CH3:42])=[O:43].[Na+:32].[nH:1]1[c:2]([CH2:6][N:7]([CH2:8][c:9]2[nH:10][cH:11][cH:12][n:13]2)[CH2:14][c:15]2[cH:16][cH:17][c:18]([C:21](=[O:22])[N:23]3[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]3)[cH:19][cH:20]2)[n:3][cH:4][cH:5]1>>[nH:1]1[c:2]([CH2:6][N:7]([CH2:8][c:9]2[n:10][cH:11][cH:12][nH:13]2)[CH2:14][c:15]2[cH:16][cH:17][c:18]([C:21](=[O:22])[N:23]3[CH2:24][CH2:25][N:26]([CH2:40][CH2:41][CH3:42])[CH2:27][CH2:28]3)[cH:19][cH:20]2)[n:3][cH:4][cH:5]1