HRID94031

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1176

Urea

CH4N2O

HCID254260

t-butylaniline

C10H15N

HCID21325158

未命名化合物

结构：CC(C)(Cc1ccc(O)cc1)NCC(=O)c1ccc(O)c(CC#N)c1

HCID54067231

未命名化合物

PRODUCTS

生成物

HCID21325152

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-71e6787dbbcd4212956fe745e4b9dd32
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

[CH3:28][C:29]([CH2:30][c:31]1[cH:32][cH:33][c:34]([OH:37])[cH:35][cH:36]1)([CH3:38])[NH:39][CH2:40][C:41](=[O:42])[c:43]1[cH:44][cH:45][c:46]([OH:52])[c:47]([CH2:49][C:50]#[N:51])[cH:48]1.[NH2:24][C:25]([NH2:26])=[O:27].[OH:1][c:2]1[cH:3][cH:4][c:5]([NH:6][C:7]([CH3:8])([CH3:9])[CH3:10])[cH:11][cH:12]1.[c:13]1([NH:14][C:15]([CH3:16])([CH3:17])[CH3:18])[cH:19][cH:20][cH:21][cH:22][cH:23]1>>[CH3:28][C:29]([CH2:30][c:31]1[cH:32][cH:33][c:34]([OH:37])[cH:35][cH:36]1)([CH3:38])[NH:39][CH2:40][CH:41]([OH:42])[c:43]1[cH:44][cH:45][c:46]([OH:52])[c:47]([CH2:49][C:50]#[N:51])[cH:48]1