HRID143607

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

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

HCID2724700

未命名化合物

结构：CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nccc2cc(NC(C(=O)O)c3ccc(OCC(=O)Nc4cccc(CNC(=O)OCc5ccccc5)c4)cc3)ccc12

HCID57842637

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nccc2cc(NC3C(=O)NCc4cccc(c4)NC(=O)COc4ccc3cc4)ccc12

HCID57842897

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3ed12281fa0b4b8e9ffe21f77aecd242
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

[CH2:1]([c:6]1[cH:7][cH:10][cH:30][cH:31][cH:32]1)[O:8][C:9](=[O:5])[NH:11][CH2:12][c:13]1[cH:14][c:15]([NH:19][C:20]([CH2:21][O:22][c:23]2[cH:24][cH:25][c:26]([CH:29]([C:2]([OH:3])=[O:4])[NH:33][c:34]3[cH:35][c:36]4[cH:37][cH:38][n:39][c:40]([N:44]([C:45](=[O:46])[O:47][C:48]([CH3:49])([CH3:50])[CH3:51])[C:52](=[O:53])[O:54][C:55]([CH3:56])([CH3:57])[CH3:58])[c:41]4[cH:42][cH:43]3)[cH:27][cH:28]2)=[O:59])[cH:16][cH:17][cH:18]1.[CH3:98][N:99]([c:100]1[cH:101][cH:102][n:103][cH:104][cH:105]1)[CH3:106].[Cl:107][CH2:108][Cl:109].[O:93]=[CH:94][N:95]([CH3:96])[CH3:97].[P-:60]([F:61])([F:62])([F:63])([F:64])([F:65])[F:66].[n:67]1([O:68][P+:69]([N:70]2[CH2:71][CH2:72][CH2:73][CH2:74]2)([N:75]2[CH2:76][CH2:77][CH2:78][CH2:79]2)[N:80]2[CH2:81][CH2:82][CH2:83][CH2:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][c:90]2[n:91][n:92]1>>[O:8]=[C:9]1[NH:11][CH2:12][c:13]2[cH:14][c:15]([cH:16][cH:17][cH:18]2)[NH:19][C:20](=[O:59])[CH2:21][O:22][c:23]2[cH:24][cH:25][c:26]([cH:27][cH:28]2)[CH:29]1[NH:33][c:34]1[cH:35][c:36]2[cH:37][cH:38][n:39][c:40]([N:44]([C:45](=[O:46])[O:47][C:48]([CH3:49])([CH3:50])[CH3:51])[C:52](=[O:53])[O:54][C:55]([CH3:56])([CH3:57])[CH3:58])[c:41]2[cH:42][cH:43]1