HRID213230

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6422

未命名化合物

HCID8471

Triethylamine

C6H15N

HCID21254099

N-(2,2-Dimethoxyethyl)butan-1-amine

C8H19NO2

结构：CC(C)c1nc(C(=O)N2CCOC3(CCN(CCc4cccc(CCOCCC(=O)O)c4)CC3)C2)cs1

HCID58168484

未命名化合物

PRODUCTS

生成物

结构：CCCCN(CC(OC)OC)C(=O)CCOCCc1cccc(CCN2CCC3(CC2)CN(C(=O)c2csc(C(C)C)n2)CCO3)c1

HCID58168512

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-24d36aea3cae416c92e42ae2ad01a267
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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