HRID692669

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID21935385

3-Methyl-1H-indole-6-carboxylic acid

C10H9NO2

结构：CC(C)(C)OC(=O)N1CCC(COCC(N)c2ccccc2)CC1

HCID69309625

未命名化合物

PRODUCTS

生成物

结构：Cc1c[nH]c2cc(C(=O)NC(COCC3CCN(C(=O)OC(C)(C)C)CC3)c3ccccc3)ccc12

HCID69310628

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7c71fe59a7194dcc9818cf6c5e638c18
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([CH2:14][O:15][CH2:16][CH:17]([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[NH2:24])[CH2:12][CH2:13]1.[CH3:25][c:26]1[cH:27][nH:28][c:29]2[cH:30][c:31]([C:35](=[O:36])[OH:37])[cH:32][cH:33][c:34]12>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([CH2:14][O:15][CH2:16][CH:17]([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[NH:24][C:35]([c:31]2[cH:30][c:29]3[nH:28][cH:27][c:26]([CH3:25])[c:34]3[cH:33][cH:32]2)=[O:36])[CH2:12][CH2:13]1