HRID1126090

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID7010342

3-DIMETHYLAMINOBENZOYL CHLORIDE

C9H10ClNO

结构：CC(C)(C)OC(=O)N1CCN(Cc2ccc3oc(-c4cccc(N)c4)nc3n2)CC1

HCID59680278

未命名化合物

PRODUCTS

生成物

结构：CN(C)c1cccc(C(=O)Nc2cccc(-c3nc4nc(CN5CCN(C(=O)OC(C)(C)C)CC5)ccc4o3)c2)c1

HCID66624878

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9b746756e74b442fb343b456aea74955
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([CH2:14][c:15]2[cH:16][cH:17][c:18]3[c:19]([n:20]2)[n:21][c:22](-[c:24]2[cH:25][c:26]([NH2:30])[cH:27][cH:28][cH:29]2)[o:23]3)[CH2:12][CH2:13]1.[CH3:32][N:33]([c:34]1[cH:35][c:36]([C:37](=[O:38])[Cl:39])[cH:40][cH:41][cH:42]1)[CH3:43].[ClH:31].[cH:44]1[cH:45][cH:46][n:47][cH:48][cH:49]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([CH2:14][c:15]2[cH:16][cH:17][c:18]3[c:19]([n:20]2)[n:21][c:22](-[c:24]2[cH:25][c:26]([NH:30][C:37]([c:36]4[cH:35][c:34]([N:33]([CH3:32])[CH3:43])[cH:42][cH:41][cH:40]4)=[O:38])[cH:27][cH:28][cH:29]2)[o:23]3)[CH2:12][CH2:13]1