HRID2321344

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID596264

未命名化合物

HCID4641409

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

C10H15N6O+

结构：COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc3cc(-c4ccc(-c5cnc(C6CCCN6)[nH]5)cc4)ccc3c2)[nH]1)C(C)C

HCID66620477

未命名化合物

PRODUCTS

生成物

结构：COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc4cc(-c5cnc(C6CCCN6C(=O)C(NC(=O)OC)C(C)C)[nH]5)ccc4c3)cc2)[nH]1)c1ccccc1

HCID76758776

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fcc7c9d5ef6647dbbd6797ef002d6b47
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

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