HRID112876

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID270655

Boc-DL-valine

C10H19NO4

HCID57889694

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C2(O)CCN(C(=O)C(NC(=O)OC(C)(C)C)C(C)C)CC2(C)C)ccc1Cl

HCID178488266

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-19a331cc8789494b88561837e2302017
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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