HRID2159404

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID137254

1-Methyl-3-aminopyrazole

C4H7N3

HCID4641409

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

C10H15N6O+

结构：CC1(C)Cc2c(Oc3cnc(C(=O)N4CC(F)C4)c(F)c3)cc(C(=O)O)cc2O1

HCID59560326

未命名化合物

PRODUCTS

生成物

结构：Cn1ccc(NC(=O)c2cc(Oc3cnc(C(=O)N4CC(F)C4)c(F)c3)c3c(c2)OC(C)(C)C3)n1

HCID25106375

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2ea36d6bc046463e9eb2fe40d093f619
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

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