HRID1552380

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID12734

Diisopropylcarbodiimide

C7H14N2

HCID83793

2,2'-(Oxybis(2,1-ethanediyloxy))bisacetic acid

C8H14O7

结构：COc1ccc(C2C(CCC(O)c3ccc(F)cc3)C(=O)N2c2ccc(CN)cc2)cc1

HCID12111622

未命名化合物

HCID178418300

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C2C(CCC(O)c3ccc(F)cc3)C(=O)N2c2ccc(CNC(=O)COCCOCCOCC(=O)O)cc2)cc1

HCID21083134

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-26ea6101bc66435e93c1eeb446e82aea
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

[C:33]([CH2:34][O:35][CH2:36][CH2:37][O:38][CH2:39][CH2:40][O:41][CH2:42][C:43](=[O:44])[OH:45])(=[O:46])[OH:47].[CH3:67][N:68]([CH3:69])[CH:70]=[O:71].[CH3:72][CH2:73][N:74]([CH2:75][CH3:76])[CH2:77][CH3:78].[CH:48]([N:49]=[C:50]=[N:51][CH:52]([CH3:53])[CH3:54])([CH3:55])[CH3:56].[NH2:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([N:9]2[C:10](=[O:32])[CH:11]([CH2:21][CH2:22][CH:23]([OH:24])[c:25]3[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]3)[CH:12]2[c:13]2[cH:14][cH:15][c:16]([O:19][CH3:20])[cH:17][cH:18]2)[cH:7][cH:8]1.[OH:57][c:58]1[c:59]2[n:60][n:61][nH:62][c:63]2[cH:64][cH:65][cH:66]1>>[NH:1]([CH2:2][c:3]1[cH:4][cH:5][c:6]([N:9]2[C:10](=[O:32])[CH:11]([CH2:21][CH2:22][CH:23]([OH:24])[c:25]3[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]3)[CH:12]2[c:13]2[cH:14][cH:15][c:16]([O:19][CH3:20])[cH:17][cH:18]2)[cH:7][cH:8]1)[C:43]([CH2:42][O:41][CH2:40][CH2:39][O:38][CH2:37][CH2:36][O:35][CH2:34][C:33](=[O:46])[OH:47])=[O:44]