HRID1210462

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

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+

HCID22268752

未命名化合物

HCID178439379

未命名化合物

PRODUCTS

生成物

结构：CCCC1CC(N(C)C(C)C)CCC1N1CCC(NC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NCC)C1=O

HCID178439380

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1d5f80124ca14523ae226a327f12ffa8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:31]([CH3:32])[NH:33][C:34]([NH:35][c:36]1[c:37]([C:38](=[O:39])[OH:40])[cH:41][c:42]([C:45]([F:46])([F:47])[F:48])[cH:43][cH:44]1)=[O:49].[CH:22]([N:23]([CH2:24][CH3:25])[CH:26]([CH3:27])[CH3:28])([CH3:29])[CH3:30].[NH2:1][CH:2]1[C:3](=[O:21])[N:4]([CH:7]2[CH:8]([CH2:18][CH2:19][CH3:20])[CH2:9][CH:10]([N:13]([CH3:14])[CH:15]([CH3:16])[CH3:17])[CH2:11][CH2:12]2)[CH2:5][CH2:6]1.[O:74]=[CH:75][N:76]([CH3:77])[CH3:78].[OH2:79].[P-:50]([F:51])([F:52])([F:53])([F:54])([F:55])[F:56].[n:57]1([O:58][C:59]([N:60]([CH3:61])[CH3:62])=[N+:63]([CH3:64])[CH3:65])[c:66]2[n:67][cH:68][cH:69][cH:70][c:71]2[n:72][n:73]1>>[NH:1]([CH:2]1[C:3](=[O:21])[N:4]([CH:7]2[CH:8]([CH2:18][CH2:19][CH3:20])[CH2:9][CH:10]([N:13]([CH3:14])[CH:15]([CH3:16])[CH3:17])[CH2:11][CH2:12]2)[CH2:5][CH2:6]1)[C:38]([c:37]1[c:36]([NH:35][C:34]([NH:33][CH2:31][CH3:32])=[O:49])[cH:44][cH:43][c:42]([C:45]([F:46])([F:47])[F:48])[cH:41]1)=[O:39]