HRID308295

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID1203613

4-(4-chlorophenyl)piperidine

C11H14ClN

HCID57889257

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(Nc1nnc(-c2ccccc2)o1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1

HCID57888975

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-91b56630316f47db969c50419798e34c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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