HRID149134

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

HCID21081530

1-[(4-Fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid

C11H10FNO3

HCID58938022

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc(F)cc1)C1(C(=O)Nc2ccc(Oc3ncnc4[nH]ccc34)c(F)c2)CC1

HCID11698079

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4d32d46a395b4345a341a1dee8c899cd
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

[CH3:59][CH2:60][N:61]([CH2:62][CH3:63])[CH2:64][CH3:65].[F:19][c:20]1[cH:21][cH:22][c:23]([NH:26][C:27](=[O:28])[C:29]2([C:32](=[O:33])[OH:34])[CH2:30][CH2:31]2)[cH:24][cH:25]1.[F:1][c:2]1[cH:3][c:4]([NH2:18])[cH:5][cH:6][c:7]1[O:8][c:9]1[c:10]2[c:11]([n:12][cH:13][n:14]1)[nH:15][cH:16][cH:17]2.[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[OH2:66].[P-:35]([F:36])([F:37])([F:38])([F:39])([F:40])[F:41].[n:42]1([O:43][C:44]([N:45]([CH3:46])[CH3:47])=[N+:48]([CH3:49])[CH3:50])[c:51]2[n:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1>>[F:1][c:2]1[cH:3][c:4]([NH:18][C:32]([C:29]2([C:27]([NH:26][c:23]3[cH:22][cH:21][c:20]([F:19])[cH:25][cH:24]3)=[O:28])[CH2:30][CH2:31]2)=[O:33])[cH:5][cH:6][c:7]1[O:8][c:9]1[c:10]2[c:11]([n:12][cH:13][n:14]1)[nH:15][cH:16][cH:17]2