HRID1555149

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID59456959

N-Methyl-1-propyl-2-naphthalenemethanamine

C15H19N

HCID66966201

未命名化合物

PRODUCTS

生成物

结构：CCCc1c(CN(C)C(=O)C=Cc2cnc3c(c2)CN(C)CC(=O)N3)ccc2ccccc12

HCID66967392

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2023ba5332514c4d86e89518a7a19987
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:20][NH:21][CH2:22][c:23]1[c:24]([CH2:33][CH2:34][CH3:35])[c:25]2[cH:26][cH:27][cH:28][cH:29][c:30]2[cH:31][cH:32]1.[CH3:2][N:3]1[CH2:4][C:5](=[O:19])[NH:6][c:7]2[c:8]([cH:10][c:11]([CH:14]=[CH:15][C:16](=[O:17])[OH:18])[cH:12][n:13]2)[CH2:9]1.[CH3:57][N:58]([CH3:59])[CH2:60][CH2:61][CH2:62][N:63]=[C:64]=[N:65][CH2:66][CH3:67].[CH:36]([N:37]([CH:38]([CH3:39])[CH3:40])[CH2:41][CH3:42])([CH3:43])[CH3:44].[ClH:1].[ClH:56].[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[OH2:45].[OH:46][n:47]1[c:48]2[cH:49][cH:50][cH:51][cH:52][c:53]2[n:54][n:55]1>>[CH3:2][N:3]1[CH2:4][C:5](=[O:19])[NH:6][c:7]2[c:8]([cH:10][c:11]([CH:14]=[CH:15][C:16](=[O:18])[N:21]([CH3:20])[CH2:22][c:23]3[c:24]([CH2:33][CH2:34][CH3:35])[c:25]4[cH:26][cH:27][cH:28][cH:29][c:30]4[cH:31][cH:32]3)[cH:12][n:13]2)[CH2:9]1