HRID1231341

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID61147

Acetyl bromide, 2-bromo-

C2H2Br2O

结构：FC(F)(F)c1cc(COC2CCC3CCC2(c2ccccc2)N3)cc(C(F)(F)F)c1

HCID22724580

未命名化合物

PRODUCTS

生成物

结构：O=C(CBr)N1C2CCC(OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C1(c1ccccc1)CC2

HCID87949783

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dc9b2b9322a742068a8a9e767cd7c06f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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