HRID94618

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8082

Piperidine

C5H11N

结构：COc1cc2ncnc(N3CCN(C(=O)Nc4ccc(CCl)cc4)CC3)c2cc1OC

HCID22707657

未命名化合物

PRODUCTS

生成物

结构：COc1cc2ncnc(N3CCN(C(=O)Nc4ccc(CN5CCCCC5)cc4)CC3)c2cc1OC

HCID22707528

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6fa7d21541bd421bb441d6d783f36a10
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

[CH2:32]1[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]1.[CH3:39][N:40]([CH3:41])[CH:42]=[O:43].[Cl:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:9][C:10](=[O:11])[N:12]2[CH2:13][CH2:14][N:15]([c:18]3[n:19][cH:20][n:21][c:22]4[cH:23][c:24]([O:30][CH3:31])[c:25]([O:28][CH3:29])[cH:26][c:27]34)[CH2:16][CH2:17]2)[cH:7][cH:8]1.[OH2:38]>>[CH2:2]([c:3]1[cH:4][cH:5][c:6]([NH:9][C:10](=[O:11])[N:12]2[CH2:13][CH2:14][N:15]([c:18]3[n:19][cH:20][n:21][c:22]4[cH:23][c:24]([O:30][CH3:31])[c:25]([O:28][CH3:29])[cH:26][c:27]34)[CH2:16][CH2:17]2)[cH:7][cH:8]1)[N:35]1[CH2:34][CH2:33][CH2:32][CH2:37][CH2:36]1