HRID1239917

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

结构：Cc1cc(C(=O)O)ccc1CCC(=O)N1CCC(CN(C(=O)OC(C)(C)C)C2CC2)CC1

HCID57555326

未命名化合物

HCID135741977

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CCC(=O)N1CCC(CN(C(=O)OC(C)(C)C)C2CC2)CC1

HCID136128441

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ed0daf67458e45c0b68493401cd12948
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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