HRID210959

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID662546

5-Fluoro-1-methyl-1H-indole-2-carboxylic acid

C10H8FNO2

结构：NCC1CC2CC2N1C(=O)c1nc(N)sc1-c1cccc(F)c1

HCID178509363

未命名化合物

PRODUCTS

生成物

结构：Cn1c(C(=O)NCC2CC3CC3N2C(=O)c2nc(N)sc2-c2cccc(F)c2)cc2cc(F)ccc21

HCID178481153

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da58ac66db954ad59b2698925647b754
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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