HRID146965

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID19660

Carbonate

CO3-2

HCID181649

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

C5H4N4O

HCID2779136

4,4-Difluorocyclohexanecarboxylic acid

C7H10F2O2

结构：CC1CN(c2nnc(-c3ccccc3)c3ccncc23)C(C)CN1

HCID57657600

未命名化合物

PRODUCTS

生成物

结构：CC1CN(c2nnc(-c3ccccc3)c3ccncc23)C(C)CN1C(=O)C1CCC(F)(F)CC1

HCID68931203

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-451a9bf6aa3f49af8d71b32f4487836e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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