HRID2322258

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID712

Formaldehyde

CH2O

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID8471

Triethylamine

C6H15N

HCID9005

Trimethoxymethane

C4H10O3

HCID28123

Tetrahydroborate

H4B-

结构：CCCN(CCC)Cc1ccc(CNCCCCN(Cc2ncc[nH]2)Cc2nccn2C)cc1

HCID58801886

未命名化合物

PRODUCTS

生成物

结构：CCCN(CCC)Cc1ccc(CN(C)CCCCN(Cc2ncc[nH]2)Cc2nccn2C)cc1

HCID58801927

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b5e1bbed5ca04a22bc06d3b6fb7fd96a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[BH4-:45].[CH2:2]([CH2:3][CH3:4])[N:5]([CH2:6][CH2:7][CH3:8])[CH2:9][c:10]1[cH:11][cH:12][c:13]([CH2:14][NH:15][CH2:16][CH2:17][CH2:18][CH2:19][N:20]([CH2:21][c:22]2[n:23]([CH3:27])[cH:24][cH:25][n:26]2)[CH2:28][c:29]2[nH:30][cH:31][cH:32][n:33]2)[cH:34][cH:35]1.[CH2:43]=[O:44].[CH3:47][OH:48].[CH3:49][CH2:50][N:51]([CH2:52][CH3:53])[CH2:54][CH3:55].[CH:36]([O:37][CH3:38])([O:39][CH3:40])[O:41][CH3:42].[ClH:1].[Na+:46]>>[CH2:2]([CH2:3][CH3:4])[N:5]([CH2:6][CH2:7][CH3:8])[CH2:9][c:10]1[cH:11][cH:12][c:13]([CH2:14][N:15]([CH2:16][CH2:17][CH2:18][CH2:19][N:20]([CH2:21][c:22]2[n:23]([CH3:27])[cH:24][cH:25][n:26]2)[CH2:28][c:29]2[n:30][cH:31][cH:32][nH:33]2)[CH3:36])[cH:34][cH:35]1