HRID2150865

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID68509

Benzenemethanamine, alpha,alpha-dimethyl-

C9H13N

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

结构：CNC(=O)c1c(-c2ccc(F)cc2)[nH]c2ccc(-c3cccc(C(=O)O)c3)cc12

HCID59233821

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1c(-c2ccc(F)cc2)[nH]c2ccc(-c3cccc(C(=O)NC(C)(C)c4ccccc4)c3)cc12

HCID59233660

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f5d42d9268584d6fb7cd9872e40fcc3f
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

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