HRID95659

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID2130

Amantadine

C10H17N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID24948397

未命名化合物

PRODUCTS

生成物

结构：CCCCc1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccn12

HCID24948205

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c26eb085b2994fb6b5d6b4337941dae4
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:38]12([NH2:48])[CH2:39][CH:40]3[CH2:41][CH:42]([CH2:43][CH:44]([CH2:45]1)[CH2:46]3)[CH2:47]2.[CH2:17]([Cl:18])[CH2:19][Cl:20].[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7]([C:14](=[O:15])[OH:16])[c:8]2[n:9]1[cH:10][cH:11][cH:12][cH:13]2.[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[OH:21][n:22]1[c:23]2[c:24]([cH:25][cH:26][cH:27][cH:28]2)[n:29][n:30]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7]([C:14](=[O:16])[NH:48][C:38]23[CH2:39][CH:40]4[CH2:41][CH:42]([CH2:43][CH:44]([CH2:45]2)[CH2:46]4)[CH2:47]3)[c:8]2[n:9]1[cH:10][cH:11][cH:12][cH:13]2