HRID1570474

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

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

HCID2724700

未命名化合物

HCID58182156

未命名化合物

结构：CN(C(=O)C(F)(F)F)C1CCCN(c2c(N)cnn2CC(F)F)CC1

HCID89456718

未命名化合物

PRODUCTS

生成物

结构：CN(C(=O)C(F)(F)F)C1CCCN(c2c(NC(=O)c3nc(Br)sc3NC(=O)OC(C)(C)C)cnn2CC(F)F)CC1

HCID89456793

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bc37d27d726241df8cdc6e3458ec4fb1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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