HRID2134076

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID237074

benzo[b]thiophen-2-ylmethanamine

C9H9NS

结构：Cc1nc(-n2ccc(OCc3ccccc3)cc2=O)sc1C(=O)O

HCID24985952

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(-n2ccc(OCc3ccccc3)cc2=O)sc1C(=O)NCc1cc2ccccc2s1

HCID57744496

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-89f062b2fb5f4fe0beca43a4941c4e3a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11](=[O:24])[n:12](-[c:15]2[s:16][c:17]([C:21](=[O:22])[OH:23])[c:18]([CH3:20])[n:19]2)[cH:13][cH:14]1.[CH3:34][N:35]([CH3:36])[CH2:37][CH2:38][CH2:39][N:40]=[C:41]=[N:42][CH2:43][CH3:44].[CH3:66][N:67]([CH3:68])[CH:69]=[O:70].[CH:25]([N:26]([CH2:27][CH3:28])[CH:29]([CH3:30])[CH3:31])([CH3:32])[CH3:33].[OH:45][n:46]1[c:47]2[cH:48][cH:49][cH:50][cH:51][c:52]2[n:53][n:54]1.[s:55]1[c:56]2[c:57]([cH:58][c:59]1[CH2:60][NH2:61])[cH:62][cH:63][cH:64][cH:65]2>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11](=[O:24])[n:12](-[c:15]2[s:16][c:17]([C:21](=[O:22])[NH:61][CH2:60][c:59]3[s:55][c:56]4[c:57]([cH:58]3)[cH:62][cH:63][cH:64][cH:65]4)[c:18]([CH3:20])[n:19]2)[cH:13][cH:14]1