HRID951653

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID280302

4-Aminomethylindole

C9H10N2

HCID68226602

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1sc(C(=O)NCc2cccc3[nH]ccc23)cc1C(F)(F)F

HCID68226931

2-Thiophenecarboxylic acid, 5-[[(1H-indol-4-ylmethyl)amino]carbonyl]-3-(trifluoromethyl)-, methyl ester

C17H13F3N2O3S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9f373d96f73741178f9286e08a5f8eae
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:24]([Cl:25])[CH2:26][Cl:27].[CH3:17][CH2:18][N:19]([CH2:20][CH3:21])[CH2:22][CH3:23].[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7]([C:14](=[O:15])[OH:16])[cH:8][c:9]1[C:10]([F:11])([F:12])[F:13].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[OH:28][n:29]1[c:30]2[c:31]([cH:32][cH:33][cH:34][cH:35]2)[n:36][n:37]1.[nH:38]1[cH:39][cH:40][c:41]2[c:42]([CH2:47][NH2:48])[cH:43][cH:44][cH:45][c:46]12>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7]([C:14](=[O:16])[NH:48][CH2:47][c:42]2[c:41]3[cH:40][cH:39][nH:38][c:46]3[cH:45][cH:44][cH:43]2)[cH:8][c:9]1[C:10]([F:11])([F:12])[F:13]