HRID157556

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID499

5-Oxoproline

C5H7NO3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

结构：COC(=O)c1c(O)cccc1OCCCCNC(=O)C(N)Cc1ccc(C2CC(=O)NS2(=O)=O)cc1

HCID178498959

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1c(O)cccc1OCCCCNC(=O)C(Cc1ccc(C2CC(=O)NS2(=O)=O)cc1)NC(=O)C1CCC(=O)N1

HCID21879426

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-85b42e5bfbb04697a1c23458cdcdeb12
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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