HRID688093

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

3 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID105728

Benzoic acid, 5-chloro-2,4-dihydroxy-

C7H5ClO4

HCID59263101

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(c2ccc3c(c2)CN(C(=O)c2cc(Cl)c(O)cc2O)C3)CC1

HCID11955816

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-179e33cbef0b4620b9568b86e921efa6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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