HRID1215807

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID31275

1,4-Dioxane

C4H8O2

反应SMILES：CN(C)CCCN(Cc1ccccc1)Cc1cccc(-c2ccc3c(c2)nnn3C(c2ccccc2)(c2ccccc2)c2ccccc2)c1

HCID68748346

未命名化合物

PRODUCTS

产物

反应SMILES：CN(C)CCCN(Cc1ccccc1)Cc1cccc(-c2ccc3[nH]nnc3c2)c1

HCID178483525

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-df98d9d1949a43d8953d82206f346f0b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

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