HRID284420

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID70106

Cyclopentanecarbaldehyde

C6H10O

HCID77469

Benzenamine, 3,4-difluoro-

C6H5F2N

HCID57481427

Ethyl 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-2-methylpropanoate

C9H14N2O2S2

结构：O=C(O)Cc1csc(NC(=O)N(CC2CCCC2)c2ccc(F)c(F)c2)n1

HCID57668246

未命名化合物

结构：CCOC(=O)C(C)(C)Sc1cnc(NC(=O)N(CC2CCCC2)c2ccc(F)c(F)c2)s1

HCID86629873

未命名化合物

PRODUCTS

生成物

结构：CC(C)(Sc1cnc(NC(=O)N(CC2CCCC2)c2ccc(F)c(F)c2)s1)C(=O)O

HCID57668364

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-65fcae7ac4394f16bf88d38d75e836d1
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

[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH3:6])([CH3:7])[S:8][c:9]1[cH:10][n:11][c:12]([NH:14][C:15](=[O:16])[N:17]([c:18]2[cH:19][c:20]([F:25])[c:21]([F:24])[cH:22][cH:23]2)[CH2:26][CH:27]2[CH2:28][CH2:29][CH2:30][CH2:31]2)[s:13]1)=[O:32].[CH2:76]([O:77][C:78](=[O:79])[C:80]([S:81][c:82]1[s:83][c:84]([NH2:85])[n:86][cH:87]1)([CH3:88])[CH3:89])[CH3:90].[CH:33]1([CH2:34][N:35]([c:36]2[cH:37][cH:38][c:39]([F:40])[c:41]([F:42])[cH:43]2)[C:44](=[O:45])[NH:46][c:47]2[s:48][cH:49][c:50]([CH2:51][C:52]([OH:53])=[O:54])[n:55]2)[CH2:56][CH2:57][CH2:58][CH2:59]1.[CH:69]1([CH:70]=[O:71])[CH2:72][CH2:73][CH2:74][CH2:75]1.[F:60][c:61]1[cH:62][c:63]([NH2:68])[cH:64][cH:65][c:66]1[F:67]>>[O:3]=[C:4]([C:5]([CH3:6])([CH3:7])[S:8][c:9]1[cH:10][n:11][c:12]([NH:14][C:15](=[O:16])[N:17]([c:18]2[cH:19][c:20]([F:25])[c:21]([F:24])[cH:22][cH:23]2)[CH2:26][CH:27]2[CH2:28][CH2:29][CH2:30][CH2:31]2)[s:13]1)[OH:32]