HRID104250

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID130500

未命名化合物

结构：CCCC(C(=O)O)C(=O)NCc1c(CC)nc2c(cnn2CC)c1NC1CCOCC1

HCID57819895

未命名化合物

结构：CC1CN(Cc2cccc(-c3cc(CN)ccc3F)c2)CCN1C(=O)OC(C)(C)C

HCID70989768

未命名化合物

PRODUCTS

生成物

结构：CCCC(C(=O)NCc1ccc(F)c(-c2cccc(CN3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)c1)C(=O)NCc1c(CC)nc2c(cnn2CC)c1NC1CCOCC1

HCID178447330

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c94b3c1f2b234724a91c793ca17ba85a
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

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