HRID2346619

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID82693

5-Chloroindole-2-carboxylate

C9H6ClNO2

结构：CC(C)(C)OC(=O)N1CCC(COCC(N)c2ccccc2Cl)CC1

HCID69309645

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(COCC(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c2ccccc2Cl)CC1

HCID69307917

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7845e871565740c3ae0bdbab642ff74d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

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[c:19]([Cl:24])[cH:20][cH:21][cH:22][cH:23]2)[NH2:25])[CH2:12][CH2:13]1.[Cl:26][c:27]1[cH:28][c:29]2[cH:30][c:31]([C:36](=[O:37])[OH:38])[nH:32][c:33]2[cH:34][cH:35]1>>[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[c:19]([Cl:24])[cH:20][cH:21][cH:22][cH:23]2)[NH:25][C:36]([c:31]2[cH:30][c:29]3[cH:28][c:27]([Cl:26])[cH:35][cH:34][c:33]3[nH:32]2)=[O:37])[CH2:12][CH2:13]1