HRID211203

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID74924

Propanoic acid, 2-bromo-2-methyl-

C4H7BrO2

结构：Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(C3(O)CN(C(C)(C)C(=O)O)C3)s2)c1

HCID58456099

未命名化合物

结构：Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(C3(O)CNC3)s2)c1

HCID67261291

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(C3(O)CN(C(C)(C)C(=O)OC(C)(C)C(=O)O)C3)s2)c1

HCID58456131

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3fc5738438134ce0adb96baf3959a816
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:29][C:30]([C:31](=[O:32])[OH:33])([CH3:34])[CH3:35].[CH3:1][c:2]1[cH:3][c:4](-[c:5]2[s:6][c:7]([C:8]3([OH:9])[CH2:10][NH:11][CH2:12]3)[n:13][cH:14]2)[cH:15][c:16]([NH:17][c:18]2[n:19][c:20]([C:21]([F:22])([F:23])[F:24])[cH:25][cH:26][n:27]2)[cH:28]1.[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[O:77]1[CH2:78][CH2:79][CH2:80][CH2:81]1.[OH:43][C:44]1([c:54]2[s:55][c:56](-[c:59]3[cH:60][c:61]([CH3:76])[cH:62][c:63]([NH:65][c:66]4[n:67][cH:68][cH:69][c:70]([C:72]([F:73])([F:74])[F:75])[n:71]4)[cH:64]3)[cH:57][n:58]2)[CH2:45][N:46]([C:48]([C:49](=[O:50])[OH:51])([CH3:52])[CH3:53])[CH2:47]1>>[C:30]([C:31](=[O:32])[OH:33])([CH3:34])([CH3:35])[O:51][C:49]([C:48]([N:46]1[CH2:45][C:44]([OH:43])([c:54]2[s:55][c:56](-[c:59]3[cH:60][c:61]([CH3:76])[cH:62][c:63]([NH:65][c:66]4[n:67][cH:68][cH:69][c:70]([C:72]([F:73])([F:74])[F:75])[n:71]4)[cH:64]3)[cH:57][n:58]2)[CH2:47]1)([CH3:52])[CH3:53])=[O:50]