HRID2134723

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID676311

Tert-butyl (2-aminophenyl)carbamate

C11H16N2O2

HCID5250894

未命名化合物

HCID21975913

未命名化合物

PRODUCTS

生成物

结构：C=CCN(CC=C)Cc1ccc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)s1

HCID69655347

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-50799fc2e40c45cbb02f58c3fe1ca5b4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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