HRID205817

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

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

结构：COCCN(Cc1ccc(-c2cc3nccc(Oc4ccc(N)cc4F)c3s2)nc1)C(=O)OC(C)(C)C

HCID57919472

未命名化合物

PRODUCTS

生成物

结构：COCCN(Cc1ccc(-c2cc3nccc(Oc4ccc(NC(=O)C5(C(=O)Nc6ccc(F)cc6)CC5)cc4F)c3s2)nc1)C(=O)OC(C)(C)C

HCID57919567

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-15d3e698cd174feaaefff5029b3cb23f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:92][CH2:93][O:94][C:95](=[O:96])[CH3:97].[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[F:47][c:48]1[cH:49][cH:50][c:51]([NH:54][C:55](=[O:56])[C:57]2([C:60](=[O:61])[OH:62])[CH2:58][CH2:59]2)[cH:52][cH:53]1.[NH2:1][c:2]1[cH:3][c:4]([F:37])[c:5]([O:6][c:7]2[c:8]3[c:9]([n:10][cH:11][cH:12]2)[cH:13][c:14](-[c:16]2[cH:17][cH:18][c:19]([CH2:22][N:23]([C:24]([O:25][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30])[CH2:31][CH2:32][O:33][CH3:34])[cH:20][n:21]2)[s:15]3)[cH:35][cH:36]1.[O:87]=[CH:88][N:89]([CH3:90])[CH3:91].[P-:63]([F:64])([F:65])([F:66])([F:67])([F:68])[F:69].[n:70]1([O:71][C:72]([N:73]([CH3:74])[CH3:75])=[N+:76]([CH3:77])[CH3:78])[c:79]2[n:80][cH:81][cH:82][cH:83][c:84]2[n:85][n:86]1>>[NH:1]([c:2]1[cH:3][c:4]([F:37])[c:5]([O:6][c:7]2[c:8]3[c:9]([n:10][cH:11][cH:12]2)[cH:13][c:14](-[c:16]2[cH:17][cH:18][c:19]([CH2:22][N:23]([C:24]([O:25][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30])[CH2:31][CH2:32][O:33][CH3:34])[cH:20][n:21]2)[s:15]3)[cH:35][cH:36]1)[C:60]([C:57]1([C:55]([NH:54][c:51]2[cH:50][cH:49][c:48]([F:47])[cH:53][cH:52]2)=[O:56])[CH2:58][CH2:59]1)=[O:61]