HRID686313

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID4186341

未命名化合物

反应SMILES：CCC(O)(C#Cc1ccc(C(CC)(CC)c2ccc(C(=O)O)c(C)c2)cc1C)CC

HCID57849348

未命名化合物

PRODUCTS

产物

反应SMILES：CCC(O)(C#Cc1ccc(C(CC)(CC)c2ccc(C(=O)NC(C)(C)C(=O)OC)c(C)c2)cc1C)CC

HCID57849328

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ccbcb2f5937145229d65e30a6f68261a
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

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