HRID1113333

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID43388400

3-Methoxy-N-methyl-2-(1-methylethoxy)benzenemethanamine

C12H19NO2

HCID59456959

N-Methyl-1-propyl-2-naphthalenemethanamine

C15H19N

结构：O=C(O)C=Cc1cnc2c(c1)CN(CCN1CCOCC1)C(=O)N2

HCID66967513

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：COc1cccc(CN(C)C(=O)C=Cc2cnc3c(c2)CN(CCN2CCOCC2)C(=O)N3)c1OC(C)C

HCID66966873

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-be040f01ff604359bf6118c5ea629f45
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:16][NH:17][CH2:18][c:19]1[cH:20][cH:21][c:22]2[c:23]([cH:24][cH:25][cH:26][cH:27]2)[c:28]1[CH2:29][CH2:30][CH3:31].[CH:1]([CH3:2])([CH3:3])[O:4][c:5]1[c:6]([CH2:7][NH:8][CH3:9])[cH:10][cH:11][cH:12][c:13]1[O:14][CH3:15].[ClH:32].[O:33]1[CH2:34][CH2:35][N:36]([CH2:39][CH2:40][N:41]2[C:42](=[O:56])[NH:43][c:44]3[c:45]([cH:47][c:48]([CH:51]=[CH:52][C:53](=[O:54])[OH:55])[cH:49][n:50]3)[CH2:46]2)[CH2:37][CH2:38]1>>[CH:1]([CH3:2])([CH3:3])[O:4][c:5]1[c:6]([CH2:7][N:8]([CH3:9])[C:53]([CH:52]=[CH:51][c:48]2[cH:47][c:45]3[c:44]([n:50][cH:49]2)[NH:43][C:42](=[O:56])[N:41]([CH2:40][CH2:39][N:36]2[CH2:35][CH2:34][O:33][CH2:38][CH2:37]2)[CH2:46]3)=[O:55])[cH:10][cH:11][cH:12][c:13]1[O:14][CH3:15].[ClH:32]