HRID1216098

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID9886

Hexafluorophosphate ion

F6P-

HCID578680

3-(1,1,2,2-Tetrafluoroethoxy)benzoic acid

C9H6F4O3

HCID4641409

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

C10H15N6O+

结构：Cc1ccc(N)cc1Oc1ccc2nc(NC(=O)C3CC3)sc2n1

HCID58451281

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)c2cccc(OC(F)(F)C(F)F)c2)cc1Oc1ccc2nc(NC(=O)C3CC3)sc2n1

HCID59507059

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a2ec30c36f28489aa736087a825eac0e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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