HRID1544722

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID9886

Hexafluorophosphate ion

F6P-

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

HCID57750292

未命名化合物

结构：CC(C)(C)OC(=O)NC1(C(=O)O)CCN(c2ncnc3[nH]ccc23)CC1

HCID57750394

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1(C(=O)NC(Cc2nccs2)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1

HCID57750300

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f7ba1bbfb68416bb99d632871984464
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:25]([CH3:26])([CH3:27])([CH3:28])[O:29][C:30](=[O:31])[NH:32][C:33]1([C:48](=[O:49])[OH:50])[CH2:34][CH2:35][N:36]([c:39]2[c:40]3[c:41]([n:42][cH:43][n:44]2)[nH:45][cH:46][cH:47]3)[CH2:37][CH2:38]1.[CH3:75][N:76]1[CH2:77][CH2:78][CH2:79][C:80]1=[O:81].[CH3:82][CH2:83][O:84][CH2:85][CH3:86].[CH:66]([N:67]([CH2:68][CH3:69])[CH:70]([CH3:71])[CH3:72])([CH3:73])[CH3:74].[Cl:51][c:52]1[cH:53][cH:54][c:55]([CH:58]([CH2:59][c:60]2[s:61][cH:62][cH:63][n:64]2)[NH2:65])[cH:56][cH:57]1.[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7].[n:8]1([O:9][C:10]([N:11]([CH3:12])[CH3:13])=[N+:14]([CH3:15])[CH3:16])[c:17]2[n:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1>>[C:25]([CH3:26])([CH3:27])([CH3:28])[O:29][C:30](=[O:31])[NH:32][C:33]1([C:48](=[O:50])[NH:65][CH:58]([c:55]2[cH:54][cH:53][c:52]([Cl:51])[cH:57][cH:56]2)[CH2:59][c:60]2[s:61][cH:62][cH:63][n:64]2)[CH2:34][CH2:35][N:36]([c:39]2[c:40]3[c:41]([n:42][cH:43][n:44]2)[nH:45][cH:46][cH:47]3)[CH2:37][CH2:38]1