HRID1120136

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID102884

tert-Butyl prolinate

C9H17NO2

结构：Cc1ccc(-c2cccc(-c3nc4c(ccc5cc(S(=O)(=O)Cl)cc(O)c54)[nH]3)c2)cc1C

HCID22566674

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-c2cccc(-c3nc4c(ccc5cc(S(=O)(=O)N6CCCC6C(=O)OC(C)(C)C)cc(O)c54)[nH]3)c2)cc1C

HCID69739191

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-24212c17adf44da98ea6a3d5279c6713
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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