HRID311619

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID313

Hydrochloric Acid

ClH

HCID31275

1,4-Dioxane

C4H8O2

HCID57416150

8-Methoxy-3-(2-methoxyethyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine

C14H22N2O2

HCID58748468

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1ccccc1Nc1nc(Nc2cc3c(cc2OC)CCN(CCOC)CC3)ncc1Br

HCID66830292

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d0f27e658f0c4639a4fcfba12f9285b6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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