HRID2325027

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID78288

Glycine, N-[(1,1-dimethylethoxy)carbonyl]-

C7H13NO4

结构：Cc1c(C(=O)Nc2ccc(Oc3ccnc4cc(OCC5(O)CC5)ccc34)c(F)c2)c(=O)n(-c2ccccc2)n1C

HCID66670625

未命名化合物

PRODUCTS

生成物

结构：Cc1c(C(=O)Nc2ccc(Oc3ccnc4cc(OCC5(OC(=O)CNC(=O)OC(C)(C)C)CC5)ccc34)c(F)c2)c(=O)n(-c2ccccc2)n1C

HCID66693852

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0ebb38245a85482d98e5cc0ed1340158
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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