HRID114335

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID4715206

N-methyl-1-quinolin-5-ylmethanamine

C11H12N2

HCID59456959

N-Methyl-1-propyl-2-naphthalenemethanamine

C15H19N

HCID66905303

未命名化合物

HCID66966201

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CN(Cc1cccc2ncccc12)C(=O)C=Cc1cnc2c(c1)CCC(=O)N2

HCID66967639

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3b350c6d65cb4dbfa10df4580367a4ec
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]2[cH:6][cH:7][cH:8][n:9][c:10]2[cH:11][cH:12][cH:13]1.[CH3:48][N:49]1[CH2:50][c:51]2[cH:52][c:53]([CH:54]=[CH:55][C:56]([OH:57])=[O:58])[cH:59][n:60][c:61]2[NH:62][C:63](=[O:64])[CH2:65]1.[ClH:30].[ClH:47].[O:31]=[C:32]1[CH2:33][CH2:34][c:35]2[cH:36][c:37]([CH:42]=[CH:43][C:44](=[O:45])[OH:46])[cH:38][n:39][c:40]2[NH:41]1>>[CH3:1][N:2]([CH2:3][c:4]1[c:5]2[cH:6][cH:7][cH:8][n:9][c:10]2[cH:11][cH:12][cH:13]1)[C:44]([CH:43]=[CH:42][c:37]1[cH:36][c:35]2[c:40]([n:39][cH:38]1)[NH:41][C:32](=[O:31])[CH2:33][CH2:34]2)=[O:45].[ClH:30]