HRID697653

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID76704

4-Ethylpiperidine

C7H15N

HCID199401

Phosphinic azide, diphenyl-

C12H10N3OP

结构：CN(C)c1cccc2c(S(=O)(=O)NC(CCCNC(=O)OCc3ccccc3)C(=O)O)cccc12

HCID19793149

未命名化合物

PRODUCTS

生成物

结构：CCC1CCN(C(=O)C(CCCNC(=O)OCc2ccccc2)NS(=O)(=O)c2cccc3c(N(C)C)cccc23)CC1

HCID54192395

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-97652281fc104e1286dbbfb15872d8f9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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