HRID2147883

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

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

HCID58938016

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc(F)cc1)C1(C(=O)Nc2ccc(Oc3ncnc4c3cnn4C3CCCCO3)cc2)CC1

HCID11699227

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2855d87c1e23480d9679981d07da241c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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