HRID2133217

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID2759579

2-Methoxy-N-methylaniline

C8H11NO

HCID4641409

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

C10H15N6O+

结构：CC(C)(C)OC(=O)CCCOc1cc(Cl)c(-c2cnc(C(F)(F)F)cc2C#N)cc1C(=O)O

HCID68602802

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1N(C)C(=O)c1cc(-c2cnc(C(F)(F)F)cc2C#N)c(Cl)cc1OCCCC(=O)OC(C)(C)C

HCID68602459

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7d63b05f513b44d2bac2b2b16418e4b7
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH2:8][CH2:9][CH2:10][O:11][c:12]1[c:13]([C:14](=[O:15])[OH:16])[cH:17][c:18](-[c:22]2[cH:23][n:24][c:25]([C:30]([F:31])([F:32])[F:33])[cH:26][c:27]2[C:28]#[N:29])[c:19]([Cl:21])[cH:20]1.[CH3:34][O:35][c:36]1[c:37]([NH:38][CH3:39])[cH:40][cH:41][cH:42][cH:43]1.[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[Cl:75][CH2:76][Cl:77].[O:78]=[CH:79][N:80]([CH3:81])[CH3:82].[P-:51]([F:52])([F:53])([F:54])([F:55])([F:56])[F:57].[n:58]1([O:59][C:60]([N:61]([CH3:62])[CH3:63])=[N+:64]([CH3:65])[CH3:66])[c:67]2[n:68][cH:69][cH:70][cH:71][c:72]2[n:73][n:74]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH2:8][CH2:9][CH2:10][O:11][c:12]1[c:13]([C:14](=[O:16])[N:38]([c:37]2[c:36]([O:35][CH3:34])[cH:43][cH:42][cH:41][cH:40]2)[CH3:39])[cH:17][c:18](-[c:22]2[cH:23][n:24][c:25]([C:30]([F:31])([F:32])[F:33])[cH:26][c:27]2[C:28]#[N:29])[c:19]([Cl:21])[cH:20]1