HRID1567816

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6386

tert-Butyl alcohol

C4H10O

HCID8083

Morpholine

C4H9NO

HCID15908

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

C8H17N3

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

结构：COC(=O)CCNC(C(=O)N1CC(c2cc(F)ccc2F)=CC1c1ccccc1)C1CC1

HCID178500809

未命名化合物

PRODUCTS

生成物

结构：O=C(CCNC(C(=O)N1CC(c2cc(F)ccc2F)=CC1c1ccccc1)C1CC1)N1CCOCC1

HCID178520837

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-440f9a23d00e493e9a0f78ff5001e820
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:63]([OH:64])([CH3:65])([CH3:66])[CH3:67].[CH2:35]1[CH2:36][O:37][CH2:38][CH2:39][NH:40]1.[CH3:42][N:43]([CH3:44])[CH2:45][CH2:46][CH2:47][N:48]=[C:49]=[N:50][CH2:51][CH3:52].[CH:1]1([CH:4]([C:5](=[O:6])[N:7]2[CH:8]([c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[CH:9]=[C:10]([c:12]3[c:13]([F:19])[cH:14][cH:15][c:16]([F:18])[cH:17]3)[CH2:11]2)[NH:26][CH2:27][CH2:28][C:29](=[O:30])[O:31][CH3:32])[CH2:2][CH2:3]1.[ClH:41].[Na+:34].[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[OH-:33].[OH:53][n:54]1[c:55]2[n:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]1>>[CH:1]1([CH:4]([C:5](=[O:6])[N:7]2[CH:8]([c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[CH:9]=[C:10]([c:12]3[c:13]([F:19])[cH:14][cH:15][c:16]([F:18])[cH:17]3)[CH2:11]2)[NH:26][CH2:27][CH2:28][C:29](=[O:30])[N:40]2[CH2:35][CH2:36][O:37][CH2:38][CH2:39]2)[CH2:2][CH2:3]1