HRID1554435

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：C=CCN1CC(C)N(C(c2ccc(C(=O)N(CC)CC)cc2)c2cccc(O)c2)CC1C

HCID2494

未命名化合物

HCID6344

Dichloromethane

CH2Cl2

HCID7918

Acetic anhydride

C4H6O3

HCID8471

Triethylamine

C6H15N

PRODUCTS

生成物

结构：C=CCN1CC(C)N(C(c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC(C)=O)c2)CC1C

HCID69941936

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dbcdfd7443d849949105d982a078d567
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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