HRID2148514

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID18762028

未命名化合物

结构：CCn1c(C(=O)Nc2ccc(N3CCNCC3)nc2)cc2c(OC)cccc21

HCID59365126

1-ethyl-4-methoxy-1H-indole-2-carboxylic acid (6-piperazin-1-yl-pyridin-3-yl)-amide

C21H25N5O2

PRODUCTS

生成物

结构：CCn1c(C(=O)Nc2ccc(N3CCN(C(=O)C4CCC(C(=O)OCc5ccccc5)CC4)CC3)nc2)cc2c(OC)cccc21

HCID46223951

trans-4-(4-{5-[(1-ethyl-4-methoxy-1H-indole-2-carbonyl)-amino]-pyridin-2-yl}-piperazine-1-carbonyl)-cyclohexanecarboxylic acid benzyl ester

C36H41N5O5

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a9fa4e5ef3c3495bacdf8b22adc5cc08
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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