HRID188763

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID8471

Triethylamine

C6H15N

HCID20150036

未命名化合物

结构：FC(F)(F)COc1ccc(Oc2cccc(C=C3CCNCC3)c2)cc1

HCID66876182

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1cccnn1)N1CCC(=Cc2cccc(Oc3ccc(OCC(F)(F)F)cc3)c2)CC1

HCID66876005

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1d6f6e4e778e42389ba80895c217ff76
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:43]([N:44]([CH2:45][CH3:46])[CH2:47][CH3:48])[CH3:49].[CH3:50][S:51]([CH3:52])=[O:53].[F:1][C:2]([CH2:3][O:4][c:5]1[cH:6][cH:7][c:8]([O:9][c:10]2[cH:11][c:12]([CH:13]=[C:14]3[CH2:15][CH2:16][NH:17][CH2:18][CH2:19]3)[cH:20][cH:21][cH:22]2)[cH:23][cH:24]1)([F:25])[F:26].[n:27]1[n:28][c:29]([NH:33][C:34]([O:35][c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)=[O:36])[cH:30][cH:31][cH:32]1>>[F:1][C:2]([CH2:3][O:4][c:5]1[cH:6][cH:7][c:8]([O:9][c:10]2[cH:11][c:12]([CH:13]=[C:14]3[CH2:15][CH2:16][N:17]([C:34]([NH:33][c:29]4[n:28][n:27][cH:32][cH:31][cH:30]4)=[O:35])[CH2:18][CH2:19]3)[cH:20][cH:21][cH:22]2)[cH:23][cH:24]1)([F:25])[F:26]