HRID306208

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID15290

Cyclohexanethiol

C6H12S

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

结构：Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(C(=O)Oc3cccc4ccccc34)cs2)CC1

HCID66911555

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(C(=O)SC3CCCCC3)cs2)CC1

HCID86652912

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f88ebbe1624b400eb72b50af3b223573
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]1[cH:3][c:4]([C:24]([F:25])([F:26])[F:27])[n:5][n:6]1[CH2:7][C:8](=[O:9])[N:10]1[CH2:11][CH2:12][CH:13]([c:16]2[s:17][cH:18][c:19]([C:21](=[O:22])[OH:23])[n:20]2)[CH2:14][CH2:15]1.[CH3:28][c:29]1[n:30]([CH2:31][C:32]([N:33]2[CH2:34][CH2:35][CH:36]([c:37]3[s:38][cH:39][c:40]([C:41]([O:42][c:43]4[c:44]5[c:45]([cH:46][cH:47][cH:48][cH:49]5)[cH:50][cH:51][cH:52]4)=[O:53])[n:54]3)[CH2:55][CH2:56]2)=[O:57])[n:58][c:59]([C:60]([F:61])([F:62])[F:63])[cH:64]1.[CH:65]1([SH:71])[CH2:66][CH2:67][CH2:68][CH2:69][CH2:70]1>>[CH3:1][c:2]1[cH:3][c:4]([C:24]([F:25])([F:26])[F:27])[n:5][n:6]1[CH2:7][C:8](=[O:9])[N:10]1[CH2:11][CH2:12][CH:13]([c:16]2[s:17][cH:18][c:19]([C:21](=[O:23])[S:71][CH:65]3[CH2:66][CH2:67][CH2:68][CH2:69][CH2:70]3)[n:20]2)[CH2:14][CH2:15]1