HRID946675

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

反应SMILES：c1ccc2c(c1)nnn2O[P+](N1CCCC1)(N1CCCC1)N1CCCC1

HCID2724700

未命名化合物

HCID10933398

未命名化合物

反应SMILES：Cc1cccc(CC(NC(=O)C(c2ccccc2)c2ccccc2)C(=O)O)c1

HCID178425002

未命名化合物

PRODUCTS

产物

反应SMILES：COC(=O)c1cccc(OCCC(C#N)NC(=O)C(Cc2cccc(C)c2)NC(=O)C(c2ccccc2)c2ccccc2)c1

HCID178497961

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-bc4e6f2fb09549a8829a41c1ee8c3277
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应SMILES

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