HRID308182

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID6228

N,N-Dimethylformamide

C3H7NO

结构：Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(C3(O)CCNCC3)s2)c1

HCID58456126

未命名化合物

HCID178418300

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1CCC(O)(c2ncc(-c3cc(C)cc(Nc4nccc(C(F)(F)F)n4)c3)s2)CC1

HCID58456389

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fc16d304810c46acae2b286c15362340
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

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