HRID2147549

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID15093928

(2-Ethyl-4-methyl-1,3-thiazol-5-yl)methanol

C7H11NOS

结构：CC(C)c1ccc(NC(=O)C2CCCc3c(OCc4ccccc4)cccc32)cn1

HCID17854215

未命名化合物

PRODUCTS

生成物

结构：CCc1nc(C)c(CN(C(=O)C2CCCc3c(OCc4ccccc4)cccc32)c2ccc(C(C)C)nc2)s1

HCID59597219

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-431b86572c7547239adf9e22709dd978
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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