HRID123237

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID81531

Diisopropylethylamine

C8H19N

HCID4571096

3-Aminocarbonyl-1-Boc-pyrrolidine

C10H18N2O3

结构：CS(=O)(=O)OCc1cc(Oc2ccc3c(ccn3C(=O)Nc3cccc(C(F)(F)F)c3)c2)ncn1

HCID46224264

未命名化合物

PRODUCTS

生成物

结构：NC(=O)C1CCN(Cc2cc(Oc3ccc4c(ccn4C(=O)Nc4cccc(C(F)(F)F)c4)c3)ncn2)C1

HCID59394341

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-46906ca6bdd842f39b1875595842fa31
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

[C:1]([O:2][C:6](=[O:3])[N:8]1[CH2:9][CH:10]([C:13]([NH2:14])=[O:15])[CH2:11][CH2:12]1)([CH3:4])([CH3:5])[CH3:7].[CH:58]([N:59]([CH2:60][CH3:61])[CH:62]([CH3:63])[CH3:64])([CH3:65])[CH3:66].[Cl:67][CH2:68][Cl:69].[F:16][C:17]([F:18])([F:19])[C:20]([OH:21])=[O:22].[F:23][C:24]([c:25]1[cH:26][c:27]([NH:31][C:32](=[O:33])[n:34]2[cH:35][cH:36][c:37]3[cH:38][c:39]([O:43][c:44]4[cH:45][c:46]([CH2:50][O:51][S:52]([CH3:53])(=[O:54])=[O:55])[n:47][cH:48][n:49]4)[cH:40][cH:41][c:42]23)[cH:28][cH:29][cH:30]1)([F:56])[F:57]>>[CH2:6]([N:8]1[CH2:9][CH:10]([C:13]([NH2:14])=[O:15])[CH2:11][CH2:12]1)[c:46]1[cH:45][c:44]([O:43][c:39]2[cH:38][c:37]3[cH:36][cH:35][n:34]([C:32]([NH:31][c:27]4[cH:26][c:25]([C:24]([F:23])([F:56])[F:57])[cH:30][cH:29][cH:28]4)=[O:33])[c:42]3[cH:41][cH:40]2)[n:49][cH:48][n:47]1