HRID2327098

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID4594378

bis(cyclohexylmethyl)amine

C14H27N

HCID76771558

未命名化合物

HCID178517366

未命名化合物

PRODUCTS

生成物

结构：CC(C)(CCl)C(=O)N(CC=Cc1cnc2c(c1)CC1(C2)C(=O)Nc2ncccc21)C1CCc2ccccc21

HCID76771545

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0303bf514208483ebadcbe99f66ead47
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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