HRID1240722

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

结构：COc1ccc(C2(CCS(C)(=O)=O)CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C2)cc1OC

HCID15542882

未命名化合物

结构：O=C(c1nc2ccccc2n1Cc1ccc(F)cc1)C1CCNCC1

HCID15542883

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C2(CCN3CCC(C(=O)c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C2)cc1OC

HCID9918576

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-994bf55633bb4ee6af4e519ab221a00e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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