HRID665211

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

结构：CC(C)(C)OC(=O)NC(CC(=O)O)Cc1ccc(F)c(F)c1

HCID21911215

未命名化合物

HCID45088313

3-Ethyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine

C7H12N4

PRODUCTS

生成物

结构：CCc1nnc2n1CCN(C(=O)CC(Cc1ccc(F)c(F)c1)NC(=O)OC(C)(C)C)C2

HCID72763128

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9171d9618dfd4e6c8a7c6baadd5a6d05
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

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