HRID1143372

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID259188

5-Methyl-1H-indole-2-carboxylic acid

C10H9NO2

HCID18423428

2-Methyl-1-(piperidin-4-yl)propan-2-ol

C9H19NO

PRODUCTS

生成物

结构：Cc1ccc2[nH]c(C(=O)N3CCC(CC(C)(C)O)CC3)cc2c1

HCID25210756

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7b5a0e15406d4f03bbcb62d5c54938da
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

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