HRID179421

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：CC(C)(C)OC(=O)N1CCN(CCCOc2ccc(C(=O)O)cc2F)CC1

HCID57555209

未命名化合物

HCID135741977

未命名化合物

PRODUCTS

生成物

结构：Cn1ncc2c1Nc1ccccc1N(C(=O)c1ccc(OCCCN3CCN(C(=O)OC(C)(C)C)CC3)c(F)c1)C2

HCID136128366

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-418186638ad3496d9093b05bb1a14413
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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