HRID160775

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-

HCID79882

2,2-Dimethyl-1-propylamine

C5H13N

HCID130500

未命名化合物

结构：Cc1ccc(C(=O)O)cc1-c1nc(NCCN(C)C)nc2c1CNC(=O)N2c1c(F)cccc1F

HCID57530538

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=O)NCC(C)(C)C)cc1-c1nc(NCCN(C)C)nc2c1CNC(=O)N2c1c(F)cccc1F

HCID59208114

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6151f69d87bf40e99faabc9b7312ccf8
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

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