HRID1239548

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID1140

Toluene

C7H8

HCID10329646

Methyl 3-(3-pyridyl)propionate

C9H11NO2

HCID11034635

未命名化合物

PRODUCTS

生成物

结构：O=C(CCc1cccnc1)NCCCCC1CCN(C(c2ccccc2)c2ccccc2)CC1

HCID9846838

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-130be22d4e4d45fc849280ec3bbbb250
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:1][O:2][C:3]([CH2:4][CH2:5][c:6]1[cH:7][n:8][cH:9][cH:10][cH:11]1)=[O:12].[CH3:37][OH:38].[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[c:13]1([CH:19]([N:20]2[CH2:21][CH2:22][CH:23]([CH2:26][CH2:27][CH2:28][CH2:29][NH2:30])[CH2:24][CH2:25]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[cH:14][cH:15][cH:16][cH:17][cH:18]1>>[C:3]([CH2:4][CH2:5][c:6]1[cH:7][n:8][cH:9][cH:10][cH:11]1)(=[O:12])[NH:30][CH2:29][CH2:28][CH2:27][CH2:26][CH:23]1[CH2:22][CH2:21][N:20]([CH:19]([c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[CH2:25][CH2:24]1