HRID669702

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID15007

Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-

C15H22O3

HCID10446536

未命名化合物

HCID13586794

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C)c2ncc(NC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c(-c3ccccc3Cl)c2c1

HCID15230624

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ff5e6d46c58d4ce1aa9bfc87b9fe5b2f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:21]([CH3:22])([CH3:23])([CH3:24])[c:25]1[cH:26][c:27]([C:28](=[O:29])[OH:30])[cH:31][c:32]([C:35]([CH3:36])([CH3:37])[CH3:38])[c:33]1[OH:34].[CH2:39]([P:40]([C:41]#[N:42])([CH2:43][CH3:44])=[O:45])[CH3:46].[CH3:47][CH2:48][N:49]([CH2:50][CH3:51])[CH2:52][CH3:53].[NH2:1][c:2]1[cH:3][n:4][c:5]2[c:6]([CH3:20])[cH:7][c:8]([CH3:19])[cH:9][c:10]2[c:11]1-[c:12]1[c:13]([Cl:18])[cH:14][cH:15][cH:16][cH:17]1.[O:54]=[CH:55][N:56]([CH3:57])[CH3:58].[OH2:59]>>[NH:1]([c:2]1[cH:3][n:4][c:5]2[c:6]([CH3:20])[cH:7][c:8]([CH3:19])[cH:9][c:10]2[c:11]1-[c:12]1[c:13]([Cl:18])[cH:14][cH:15][cH:16][cH:17]1)[C:28]([c:27]1[cH:26][c:25]([C:21]([CH3:22])([CH3:23])[CH3:24])[c:33]([OH:34])[c:32]([C:35]([CH3:36])([CH3:37])[CH3:38])[cH:31]1)=[O:29]