HRID673869

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID10351

3-Furaldehyde

C5H4O2

结构：CC(c1cccc2ccccc12)N(CC1CNCCC1c1ccccc1)C(=O)OC(C)(C)C

HCID178435712

未命名化合物

PRODUCTS

生成物

结构：CC(c1cccc2ccccc12)N(CC1CN(Cc2ccoc2)CCC1c1ccccc1)C(=O)OC(C)(C)C

HCID178435711

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5410baed8478476eacb51501ee35c2b9
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH2:8][CH:9]1[CH2:10][NH:11][CH2:12][CH2:13][CH:14]1[c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[CH:21]([CH3:22])[c:23]1[cH:24][cH:25][cH:26][c:27]2[cH:28][cH:29][cH:30][cH:31][c:32]12)=[O:33].[CH3:41][C:42](=[O:43])[OH:44].[O:45]=[CH:46][N:47]([CH3:48])[CH3:49].[o:34]1[cH:35][c:36]([CH:39]=[O:40])[cH:37][cH:38]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH2:8][CH:9]1[CH2:10][N:11]([CH2:39][c:36]2[cH:35][o:34][cH:38][cH:37]2)[CH2:12][CH2:13][CH:14]1[c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[CH:21]([CH3:22])[c:23]1[cH:24][cH:25][cH:26][c:27]2[cH:28][cH:29][cH:30][cH:31][c:32]12)=[O:33]