HRID181407

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID9005

Trimethoxymethane

C4H10O3

HCID10400

Cycloheptanone

C7H12O

HCID498716

未命名化合物

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

HCID10317717

未命名化合物

PRODUCTS

生成物

结构：O=C(NCCCCNC1CCCCCC1)c1ccc(CN(Cc2ncc[nH]2)Cc2ncc[nH]2)cc1

HCID9982485

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cbedda3530034dc1ac1bbe8d08ca2f21
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

[C:36]1(=[O:43])[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]1.[C:44]([BH3-:45])#[N:46].[CH3:48][OH:49].[CH3:50][C:51](=[O:52])[OH:53].[CH:29]([O:30][CH3:31])([O:32][CH3:33])[O:34][CH3:35].[Na+:47].[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:19](=[O:20])[NH:21][CH2:22][CH2:23][CH2:24][CH2:25][NH2:26])[cH:27][cH:28]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:19](=[O:20])[NH:21][CH2:22][CH2:23][CH2:24][CH2:25][NH:26][CH:36]3[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]3)[cH:27][cH:28]2)[n:3][cH:4][cH:5]1