HRID1540689

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

HCID78516

Acetamide, N-(aminocarbonyl)-2-chloro- (9CI)

C3H5ClN2O2

结构：CCCCCC(C)C(C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CNCC1

HCID213543

5,5-Dimethyl-8-(3-methyloctan-2-yl)-1,3,4,5-tetrahydro-2H-[1]benzopyrano[4,3-c]pyridin-10-ol

C23H35NO2

PRODUCTS

生成物

结构：CCCCCC(C)C(C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CC(=O)NC(N)=O)CC1

HCID20388001

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6b740638300e438881480396d30b8086
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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