HRID107856

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

HCID28273548

未命名化合物

结构：CC(C)(C)OC(=O)N1CCCCC1C(=O)Nc1ccc(Cl)c(-c2ccc(C(=O)O)cc2)c1

HCID67373099

未命名化合物

PRODUCTS

生成物

结构：CCCS(=O)(=O)N1CCN(Cc2ccc(NC(=O)c3ccc(-c4cc(NC(=O)C5CCCCN5C(=O)OC(C)(C)C)ccc4Cl)cc3)cc2)CC1

HCID67373677

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6e21fd65d92c4cccb4ca23871643fdda
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:14]([NH:15][c:16]2[cH:17][c:18](-[c:23]3[cH:24][cH:25][c:26]([C:29](=[O:30])[OH:31])[cH:27][cH:28]3)[c:19]([Cl:22])[cH:20][cH:21]2)=[O:32])[CH2:10][CH2:11][CH2:12][CH2:13]1.[CH2:33]([CH2:34][CH3:35])[S:36](=[O:37])(=[O:38])[N:39]1[CH2:40][CH2:41][N:42]([CH2:45][c:46]2[cH:47][cH:48][c:49]([NH2:52])[cH:50][cH:51]2)[CH2:43][CH2:44]1.[CH3:77][N:78]1[CH2:79][CH2:80][O:81][CH2:82][CH2:83]1.[O:84]=[CH:85][N:86]([CH3:87])[CH3:88].[P-:53]([F:54])([F:55])([F:56])([F:57])([F:58])[F:59].[n:60]1([O:61][C:62]([N:63]([CH3:64])[CH3:65])=[N+:66]([CH3:67])[CH3:68])[c:69]2[cH:70][cH:71][cH:72][cH:73][c:74]2[n:75][n:76]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:14]([NH:15][c:16]2[cH:17][c:18](-[c:23]3[cH:24][cH:25][c:26]([C:29](=[O:30])[NH:52][c:49]4[cH:48][cH:47][c:46]([CH2:45][N:42]5[CH2:41][CH2:40][N:39]([S:36]([CH2:33][CH2:34][CH3:35])(=[O:37])=[O:38])[CH2:44][CH2:43]5)[cH:51][cH:50]4)[cH:27][cH:28]3)[c:19]([Cl:22])[cH:20][cH:21]2)=[O:32])[CH2:10][CH2:11][CH2:12][CH2:13]1