HRID1558945

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID6212

Chloroform

CHCl3

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID7020335

Tert-butyl 4-aminobutanoate

C8H17NO2

结构：O=C(NC(Cc1c[nH]c2ccc(O)cc12)C(=O)O)OCc1ccccc1

HCID18516636

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C(CCN)C(=O)C(Cc1c[nH]c2ccc(O)cc12)NC(=O)OCc1ccccc1

HCID178451042

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a3883b2d9ff74d55b400c380a3c1a510
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]([CH2:13][c:14]1[cH:15][nH:16][c:17]2[cH:18][cH:19][c:20]([OH:23])[cH:21][c:22]12)[C:24](=[O:25])[OH:26].[CH3:53][C:54](=[O:55])[CH3:56].[CH:38]1([N:39]=[C:40]=[N:41][CH:42]2[CH2:43][CH2:44][CH2:45][CH2:46][CH2:47]2)[CH2:48][CH2:49][CH2:50][CH2:51][CH2:52]1.[CH:57]([Cl:58])([Cl:59])[Cl:60].[NH2:27][CH2:28][CH2:29][CH2:30][C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]([CH2:13][c:14]1[cH:15][nH:16][c:17]2[cH:18][cH:19][c:20]([OH:23])[cH:21][c:22]12)[C:24](=[O:26])[CH:30]([CH2:29][CH2:28][NH2:27])[C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37]