HRID105722

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID81531

Diisopropylethylamine

C8H19N

HCID2723778

未命名化合物

HCID10105486

未命名化合物

PRODUCTS

生成物

结构：Fc1ccc(C2(CCCN3CCC(c4csc5cc(F)ccc45)CC3)OCCO2)cc1

HCID22649344

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c568533642c34ba9b3c63189b34def1a
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

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