HRID100747

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID207112

Ethyl piperazine-1-acetate

C8H16N2O2

结构：Cc1nc(Cl)cc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)n1

HCID11269410

N-(2-Chloro-6-methylphenyl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide

C16H13Cl2N5OS

PRODUCTS

生成物

结构：CCOC(=O)CN1CCN(c2cc(Nc3ncc(C(=O)Nc4c(C)cccc4Cl)s3)nc(C)n2)CC1

HCID57940725

Ethyl {4-[6-({5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl}amino)-2-methylpyrimidin-4-yl]piperazin-1-yl}acetate

C24H28ClN7O3S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-11d51c47e71e4b8bbb135cea7411bcdf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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