HRID98887

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID9984168

未命名化合物

结构：COc1cc(C(=O)N2CCC(CCOS(C)(=O)=O)(c3ccc(F)cc3)C2)cc(OC)c1OC

HCID18464932

未命名化合物

PRODUCTS

生成物

结构：CCOCCn1c(N2CCCN(CCC3(c4ccc(F)cc4)CCN(C(=O)c4cc(OC)c(OC)c(OC)c4)C3)CC2)nc2ccccc21

HCID18464581

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-50029a6df47a484a9970f603ec2d812b
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

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