HRID690420

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

HCID2762732

(4-Methylpiperazin-1-yl)acetic acid

C7H14N2O2

结构：CC(C)(C)OC(=O)n1ncc2cc(Nc3nc(-c4cccc(N)c4)nc4ccccc34)ccc21

HCID66825994

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(CC(=O)Nc2cccc(-c3nc(Nc4ccc5c(cnn5C(=O)OC(C)(C)C)c4)c4ccccc4n3)c2)CC1

HCID59361937

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e993bbbfef4a4f1fb57c6fee1a5535f7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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