HRID2331809

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID130500

未命名化合物

HCID11369231

未命名化合物

结构：CC(C)(C)OC(=O)Nc1ccc(OC(F)(F)F)c(-c2ccc(C(=O)O)cc2)c1

HCID59822341

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1ccc(OC(F)(F)F)c(-c2ccc(C(=O)Nc3ccc(CN4CCN(S(C)(=O)=O)CC4)cc3)cc2)c1

HCID59822388

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ae74f18523be42bb93076e7702d7c64f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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