HRID2337415

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6386

tert-Butyl alcohol

C4H10O

HCID8471

Triethylamine

C6H15N

HCID21911691

未命名化合物

HCID22064260

未命名化合物

PRODUCTS

生成物

结构：Cc1nc2cc(OCC(O)CN3CCN(Cc4cc(-c5ccc(C(F)(F)F)cc5)on4)CC3)ccc2s1

HCID22064245

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-92f18092d42a4533a90b8b00175a45bc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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