HRID112031

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID108661

Benzenamine, 3-chloro-4-(4-morpholinyl)-

C10H13ClN2O

结构：CC(C)(C)OC(=O)N1CCC(Oc2ccc(Br)c3cnc(Cl)nc23)CC1

HCID86639323

1,1-Dimethylethyl 4-[(5-bromo-2-chloro-8-quinazolinyl)oxy]-1-piperidinecarboxylate

C18H21BrClN3O3

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(Oc2ccc(Br)c3cnc(Nc4ccc(N5CCOCC5)c(Cl)c4)nc23)CC1

HCID59199220

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1f6ef1fc2330462990cecd700927b2ee
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

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