HRID1206589

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID9886

Hexafluorophosphate ion

F6P-

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

HCID2724700

未命名化合物

HCID11321258

未命名化合物

结构：CC(C)(C)C(NC(=O)C(NC(=O)c1cnccn1)C1CCCCC1)C(=O)N1C(C(=O)O)CC2CCCCC21

HCID68491740

未命名化合物

PRODUCTS

生成物

结构：CCCC(NC(=O)C1CC2CCCCC2N1C(=O)C(NC(=O)C(NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(O)C(=O)OCC

HCID67114148

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-427aa97ef8764bf9b553c5cf9ec9afb4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:80]([CH3:81])[O:82][C:83]([CH:84]([CH:85]([CH2:86][CH2:87][CH3:88])[NH2:89])[OH:90])=[O:91].[CH3:72][N:73]1[CH2:74][CH2:75][O:76][CH2:77][CH2:78]1.[CH3:93][N:94]([CH3:95])[CH:96]=[O:97].[CH:1]1([CH:7]([C:8](=[O:9])[NH:10][CH:11]([C:12](=[O:13])[N:14]2[CH:15]([C:23](=[O:24])[OH:25])[CH2:16][CH:17]3[CH2:18][CH2:19][CH2:20][CH2:21][CH:22]23)[C:26]([CH3:27])([CH3:28])[CH3:29])[NH:30][C:31](=[O:32])[c:33]2[n:34][cH:35][cH:36][n:37][cH:38]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Cl:98][CH2:99][Cl:100].[ClH:79].[OH2:92].[P-:39]([F:40])([F:41])([F:42])([F:43])([F:44])[F:45].[n:46]1([O:47][P+:48]([N:49]2[CH2:50][CH2:51][CH2:52][CH2:53]2)([N:54]2[CH2:55][CH2:56][CH2:57][CH2:58]2)[N:59]2[CH2:60][CH2:61][CH2:62][CH2:63]2)[c:64]2[cH:65][cH:66][cH:67][cH:68][c:69]2[n:70][n:71]1>>[CH:1]1([CH:7]([C:8](=[O:9])[NH:10][CH:11]([C:12](=[O:13])[N:14]2[CH:15]([C:23](=[O:24])[NH:89][CH:85]([CH:84]([C:83]([O:82][CH2:80][CH3:81])=[O:91])[OH:90])[CH2:86][CH2:87][CH3:88])[CH2:16][CH:17]3[CH2:18][CH2:19][CH2:20][CH2:21][CH:22]23)[C:26]([CH3:27])([CH3:28])[CH3:29])[NH:30][C:31](=[O:32])[c:33]2[n:34][cH:35][cH:36][n:37][cH:38]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1