HRID676266

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID712

Formaldehyde

CH2O

HCID887

Methanol

CH4O

HCID962

Water

H2O

2 次

HCID3283

Diethyl Ether

C4H10O

HCID31275

1,4-Dioxane

C4H8O2

HCID66518

1H-Pyrrole, 2,5-dimethyl-1-phenyl-

C12H13N

HCID118120

N-(Piperidin-4-yl)benzenecarboximidic acid

C12H16N2O

PRODUCTS

生成物

结构：Cc1cc(CN2CCC(NC(=O)c3ccccc3)CC2)c(C)n1-c1ccccc1

HCID21430574

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-21cb14f996864d288b2913bd130b960c
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:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[NH:9][CH:10]1[CH2:11][CH2:12][NH:13][CH2:14][CH2:15]1.[CH2:29]([O:30][CH2:31][CH3:32])[CH3:33].[CH2:47]=[O:48].[CH3:16][c:17]1[n:18](-[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[c:19]([CH3:22])[cH:20][cH:21]1.[CH3:35][OH:36].[CH3:43][C:44](=[O:45])[OH:46].[O:37]1[CH2:38][CH2:39][O:40][CH2:41][CH2:42]1.[OH2:34].[OH2:49]>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[NH:9][CH:10]1[CH2:11][CH2:12][N:13]([CH2:29][c:21]2[c:17]([CH3:16])[n:18](-[c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[c:19]([CH3:22])[cH:20]2)[CH2:14][CH2:15]1