HRID1220212

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID10723

1,2,3,4-Tetrahydronaphthalen-1-ol

C10H12O

HCID11776

Triphenylphosphine

C18H15P

结构：Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(C(=O)O)cs2)CC1

HCID66601457

2‐(1‐{2‐[5‐Methyl‐3‐(trifluoromethyl)‐1H‐pyrazol‐1‐ yl]acetyl}piperidin‐4‐yl)‐1,3‐thiazole‐4‐ carboxylic acid

C16H17F3N4O3S

PRODUCTS

生成物

结构：Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(C(=O)OC3CCCc4ccccc43)cs2)CC1

HCID44462769

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-65f629c3485c4e8c883637aae65aec8f
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

[CH3:31][c:32]1[cH:33][c:34]([C:54]([F:55])([F:56])[F:57])[n:35][n:36]1[CH2:37][C:38](=[O:39])[N:40]1[CH2:41][CH2:42][CH:43]([c:46]2[s:47][cH:48][c:49]([C:51](=[O:52])[OH:53])[n:50]2)[CH2:44][CH2:45]1.[CH:1]1([OH:11])[CH2:2][CH2:3][CH2:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]21.[O:58]1[CH2:59][CH2:60][CH2:61][CH2:62]1.[c:12]1([P:13]([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:26][cH:27][cH:28][cH:29][cH:30]1>>[CH:1]1([O:11][C:51]([c:49]2[cH:48][s:47][c:46]([CH:43]3[CH2:42][CH2:41][N:40]([C:38]([CH2:37][n:36]4[c:32]([CH3:31])[cH:33][c:34]([C:54]([F:55])([F:56])[F:57])[n:35]4)=[O:39])[CH2:45][CH2:44]3)[n:50]2)=[O:52])[CH2:2][CH2:3][CH2:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]21