HRID1567077

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

3 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID9877845

(4-amino-benzyl)-methyl-(tetrahydro-pyran -4-yl)-amine

C13H20N2O

结构：CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)O)CCN3c2ccc(S(=O)(=O)N(C)C)cc2)cc1

HCID22329259

未命名化合物

PRODUCTS

生成物

结构：CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCN3c2ccc(S(=O)(=O)N(C)C)cc2)cc1

HCID22328985

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9b56d0a2074c456e9b9af157ffe1855f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:40]2)[CH:20]=[C:21]([C:37](=[O:38])[OH:39])[CH2:22][CH2:23][N:24]3[c:25]2[cH:26][cH:27][c:28]([S:31]([N:32]([CH3:33])[CH3:34])(=[O:35])=[O:36])[cH:29][cH:30]2)[cH:13][cH:14]1.[CH2:70]([N:71]=[C:72]=[N:73][CH2:74][CH2:75][CH2:76][N:77]([CH3:78])[CH3:79])[CH3:80].[CH3:43][N:44]([CH:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50]1)[CH2:51][c:52]1[cH:53][cH:54][c:55]([NH2:56])[cH:57][cH:58]1.[CH3:86][N:87]([CH3:88])[c:89]1[cH:90][cH:91][n:92][cH:93][cH:94]1.[CH3:95][CH2:96][N:97]([CH2:98][CH3:99])[CH2:100][CH3:101].[ClH:41].[ClH:42].[ClH:69].[O:81]=[CH:82][N:83]([CH3:84])[CH3:85].[OH:59][n:60]1[c:61]2[cH:62][cH:63][cH:64][cH:65][c:66]2[n:67][n:68]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:40]2)[CH:20]=[C:21]([C:37](=[O:39])[NH:56][c:55]2[cH:54][cH:53][c:52]([CH2:51][N:44]([CH3:43])[CH:45]4[CH2:46][CH2:47][O:48][CH2:49][CH2:50]4)[cH:58][cH:57]2)[CH2:22][CH2:23][N:24]3[c:25]2[cH:26][cH:27][c:28]([S:31]([N:32]([CH3:33])[CH3:34])(=[O:35])=[O:36])[cH:29][cH:30]2)[cH:13][cH:14]1