HRID172851

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

结构：Cc1ccc(S(=O)(=O)N2C=CNC(=O)C2CC(=O)O)cc1

HCID68679560

未命名化合物

结构：CC(c1ccc2c(c1)CCCC2NC(=O)OC(C)(C)C)N1CCCCC1

HCID178435473

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)N2C=CNC(=O)C2CC(=O)NC2CCCc3cc(C(C)N4CCCCC4)ccc32)cc1

HCID178427381

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3bf122093b2948fd8b4be70b3d6d97a7
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

[C:22]([O:23][C:24](=[O:25])[NH:28][CH:29]1[CH2:30][CH2:31][CH2:32][c:33]2[cH:34][c:35]([CH:39]([CH3:40])[N:41]3[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]3)[cH:36][cH:37][c:38]21)([CH3:26])([CH3:27])[CH3:47].[CH3:48][CH2:49][N:50]=[C:51]=[N:52][CH2:53][CH2:54][CH2:55][N:56]([CH3:57])[CH3:58].[O:1]=[C:2]1[CH:3]([CH2:18][C:19](=[O:20])[OH:21])[N:4]([S:8](=[O:9])(=[O:10])[c:11]2[cH:12][cH:13][c:14]([CH3:15])[cH:16][cH:17]2)[CH:5]=[CH:6][NH:7]1.[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[OH:59][n:60]1[c:61]2[c:62]([cH:63][cH:64][cH:65][cH:66]2)[n:67][n:68]1>>[O:1]=[C:2]1[CH:3]([CH2:18][C:19](=[O:20])[NH:28][CH:29]2[CH2:30][CH2:31][CH2:32][c:33]3[cH:34][c:35]([CH:39]([CH3:40])[N:41]4[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]4)[cH:36][cH:37][c:38]32)[N:4]([S:8](=[O:9])(=[O:10])[c:11]2[cH:12][cH:13][c:14]([CH3:15])[cH:16][cH:17]2)[CH:5]=[CH:6][NH:7]1