HRID165389

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID12734

Diisopropylcarbodiimide

C7H14N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID344600

3-(1-Methyl-1H-indol-3-yl)-propionic acid

C12H13NO2

HCID18923879

未命名化合物

PRODUCTS

生成物

结构：Cn1cc(CCCNCC2COc3ccc(NS(C)(=O)=O)cc3O2)c2ccccc21

HCID18923872

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4368af5f214c4515a4c77e0581bfb165
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:1][n:2]1[cH:3][c:4]([CH2:11][CH2:12][C:13]([OH:14])=[O:15])[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12.[CH3:27][CH:28]([N:29]=[C:30]=[N:31][CH:32]([CH3:33])[CH3:34])[CH3:35].[CH3:36][S:37](=[O:38])(=[O:39])[NH:40][c:41]1[cH:42][cH:43][c:44]2[c:45]([cH:52]1)[O:46][CH:47]([CH2:50][NH2:51])[CH2:48][O:49]2.[O:53]=[CH:54][N:55]([CH3:56])[CH3:57].[OH2:16].[OH:17][n:18]1[c:19]2[cH:20][cH:21][cH:22][cH:23][c:24]2[n:25][n:26]1>>[CH3:1][n:2]1[cH:3][c:4]([CH2:11][CH2:12][CH2:13][NH:51][CH2:50][CH:47]2[O:46][c:45]3[c:44]([cH:43][cH:42][c:41]([NH:40][S:37]([CH3:36])(=[O:38])=[O:39])[cH:52]3)[O:49][CH2:48]2)[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12