HRID91087

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID59456959

N-Methyl-1-propyl-2-naphthalenemethanamine

C15H19N

HCID66966201

未命名化合物

结构：O=C(O)C=Cc1cnc2c(c1)CN(CCCN1CCOCC1)CC(=O)N2

HCID66966385

未命名化合物

HCID66967084

Methyl(2-methylbenzofuran-3-ylmethyl)amine

C11H13NO

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：Cc1oc2ccccc2c1CN(C)C(=O)C=Cc1cnc2c(c1)CN(CCCN1CCOCC1)CC(=O)N2

HCID66967077

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-25dffd796c9e4ac88b82fc62ca4ea19f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:14][NH:15][CH2:16][c:17]1[cH:18][cH:19][c:20]2[c:21]([cH:22][cH:23][cH:24][cH:25]2)[c:26]1[CH2:27][CH2:28][CH3:29].[CH3:1][NH:2][CH2:3][c:4]1[c:5]([CH3:13])[o:6][c:7]2[c:8]1[cH:9][cH:10][cH:11][cH:12]2.[CH3:58][N:59]1[CH2:60][c:61]2[cH:62][c:63]([CH:64]=[CH:65][C:66]([OH:67])=[O:68])[cH:69][n:70][c:71]2[NH:72][C:73](=[O:74])[CH2:75]1.[ClH:30].[ClH:57].[O:31]1[CH2:32][CH2:33][N:34]([CH2:37][CH2:38][CH2:39][N:40]2[CH2:41][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)[CH2:35][CH2:36]1>>[CH3:1][N:2]([CH2:3][c:4]1[c:5]([CH3:13])[o:6][c:7]2[c:8]1[cH:9][cH:10][cH:11][cH:12]2)[C:53]([CH:52]=[CH:51][c:48]1[cH:47][c:45]2[c:44]([n:50][cH:49]1)[NH:43][C:42](=[O:56])[CH2:41][N:40]([CH2:39][CH2:38][CH2:37][N:34]1[CH2:33][CH2:32][O:31][CH2:36][CH2:35]1)[CH2:46]2)=[O:54].[ClH:30]