HRID2345209

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID2778454

3-Fluoro-5-methylphenylacetic acid

C9H9FO2

HCID4641409

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

C10H15N6O+

HCID66823482

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(F)cc(CC(=O)N2CCc3cc(-c4coc5ccnc(N)c45)ccc32)c1

HCID66823582

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d806b7585adb4d8d99cd9a87305ee536
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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