HRID1140528

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID6935890

phenyl pyridin-3-ylcarbamate

C12H10N2O2

结构：FC(=C1CCNCC1)c1cccc(Oc2ccc(C(F)(F)F)cn2)c1

HCID66876266

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1cccnc1)N1CCC(=C(F)c2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1

HCID66875501

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4bfb2360c7d8496099acddbd972133ae
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:42]([N:43]([CH2:44][CH3:45])[CH2:46][CH3:47])[CH3:48].[CH3:49][S:50]([CH3:51])=[O:52].[F:1][C:2]([c:3]1[cH:4][c:5]([O:6][c:7]2[n:8][cH:9][c:10]([C:13]([F:14])([F:15])[F:16])[cH:11][cH:12]2)[cH:17][cH:18][cH:19]1)=[C:20]1[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]1.[OH2:53].[n:26]1[cH:27][c:28]([NH:32][C:33]([O:34][c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)=[O:35])[cH:29][cH:30][cH:31]1>>[F:1][C:2]([c:3]1[cH:4][c:5]([O:6][c:7]2[n:8][cH:9][c:10]([C:13]([F:14])([F:15])[F:16])[cH:11][cH:12]2)[cH:17][cH:18][cH:19]1)=[C:20]1[CH2:21][CH2:22][N:23]([C:33]([NH:32][c:28]2[cH:27][n:26][cH:31][cH:30][cH:29]2)=[O:34])[CH2:24][CH2:25]1