HRID193764

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7937

2,6-Dimethylpyridine

C7H9N

HCID65367

Methanesulfonic acid, trifluoro-, trimethylsilyl ester

C4H9F3O3SSi

HCID59817701

未命名化合物

结构：COCCCn1cc(CN(C(=O)C2CC(NC(=O)OC(C)(C)C)CN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)C2CC2)c2ccccc21

HCID69071480

未命名化合物

PRODUCTS

生成物

结构：COCCCn1cc(CN(C(=O)C2CC(N)CN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)C2CC2)c2ccccc21

HCID69064234

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8315c0c9576c40faa4bdf186fa4f4f2a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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