HRID122679

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID6422

未命名化合物

HCID8471

Triethylamine

C6H15N

HCID6935890

phenyl pyridin-3-ylcarbamate

C12H10N2O2

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

HCID86623913

未命名化合物

PRODUCTS

生成物

结构：CC(=C1CCN(C(=O)Nc2cccnc2)CC1)c1cccc(Oc2ccc(C(F)(F)F)cn2)c1

HCID24967638

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-41d3386cafd541ab93a940f3a3f7453a
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

[CH3:49][CH2:50][N:51]([CH2:52][CH3:53])[CH2:54][CH3:55].[CH3:57][S:58]([CH3:59])=[O:60].[F:17][C:18]([F:19])([F:20])[C:21]([OH:22])=[O:23].[NH:24]1[CH2:25][CH2:26][C:27](=[C:30]([CH3:31])[c:32]2[cH:33][c:34]([O:35][c:36]3[n:37][cH:38][c:39]([C:42]([F:43])([F:44])[F:45])[cH:40][cH:41]3)[cH:46][cH:47][cH:48]2)[CH2:28][CH2:29]1.[OH2:56].[n:1]1[cH:2][c:3]([NH:7][C:8]([O:9][c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)=[O:10])[cH:4][cH:5][cH:6]1>>[n:1]1[cH:2][c:3]([NH:7][C:8](=[O:9])[N:24]2[CH2:25][CH2:26][C:27](=[C:30]([CH3:31])[c:32]3[cH:33][c:34]([O:35][c:36]4[n:37][cH:38][c:39]([C:42]([F:43])([F:44])[F:45])[cH:40][cH:41]4)[cH:46][cH:47][cH:48]3)[CH2:28][CH2:29]2)[cH:4][cH:5][cH:6]1