HRID306987

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID7914

Isopropyl ether

C6H14O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID23153088

未命名化合物

结构：COc1ccc(CNc2nccc(Oc3ccc(NC(=O)CC(=O)Nc4ccc(F)cc4)cc3F)n2)cc1

HCID59852883

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CNc2nccc(Oc3ccc(NC(=O)NC(=O)Cc4ccc(F)cc4)cc3F)n2)cc1

HCID11569894

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f23456fb5010487e8f741dfd1d4ff61c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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