HRID1538110

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID236984

Methyl 2-aminopyridine-4-carboxylate

C7H8N2O2

HCID693157

(4-bromo-2-chlorophenoxy)acetic acid

C8H6BrClO3

结构：c1ccc2c(c1)nnn2O[P+](N1CCCC1)(N1CCCC1)N1CCCC1

HCID2724700

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccnc(NC(=O)COc2ccc(Br)cc2Cl)c1

HCID24812096

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-49e8c14097b446779034c77fb32d06a1
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

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