HRID282916

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID9993

1-Bromo-4-fluorobenzene

C6H4BrF

结构：CCC(CC)c1cc(C)nn2c(-c3sc(Br)cc3C)c(C)nc12

HCID57932943

未命名化合物

PRODUCTS

生成物

结构：CCC(CC)c1cc(C)nn2c(-c3sc(-c4ccc(F)cc4)cc3C)c(C)nc12

HCID57933102

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-703fb9dbdc654436a4afafdfb700d8c0
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

[Br:14][c:15]1[cH:16][c:17]([CH3:36])[c:18](-[c:20]2[c:21]([CH3:35])[n:22][c:23]3[n:24]2[n:25][c:26]([CH3:34])[cH:27][c:28]3[CH:29]([CH2:30][CH3:31])[CH2:32][CH3:33])[s:19]1.[Br:6][c:7]1[cH:8][cH:9][c:10]([F:13])[cH:11][cH:12]1.[CH2:1]1[O:2][CH2:3][CH2:4][CH2:5]1.[CH3:37][CH2:38][O:39][C:40]([CH3:41])=[O:42]>>[c:7]1(-[c:15]2[cH:16][c:17]([CH3:36])[c:18](-[c:20]3[c:21]([CH3:35])[n:22][c:23]4[n:24]3[n:25][c:26]([CH3:34])[cH:27][c:28]4[CH:29]([CH2:30][CH3:31])[CH2:32][CH3:33])[s:19]2)[cH:8][cH:9][c:10]([F:13])[cH:11][cH:12]1