HRID89280

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID5964

Benzyltrimethylammonium

C10H16N+

HCID224243

1-Methyl-7-oxabicyclo[4.1.0]heptane

C7H12O

结构：O=c1ccc(-c2c(-c3ccccc3)nn3ccccc23)n[nH]1

HCID10589418

3(2H)-Pyridazinone, 6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-

C17H12N4O

PRODUCTS

生成物

结构：CC1(O)CCCCC1n1nc(-c2c(-c3ccccc3)nn3ccccc23)ccc1=O

HCID70157517

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a2704b61b6df4f20a737865283098f39
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

[CH2:35]([N+:36]([CH3:37])([CH3:38])[CH3:39])[c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[CH3:23][C:24]12[CH:25]([CH2:26][CH2:27][CH2:28][CH2:29]1)[O:30]2.[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[Cl-:34].[Na+:32].[O:1]=[c:2]1[nH:3][n:4][c:5](-[c:8]2[c:9](-[c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[n:10][n:11]3[c:12]2[cH:13][cH:14][cH:15][cH:16]3)[cH:6][cH:7]1.[OH-:31].[OH2:33]>>[O:1]=[c:2]1[n:3]([CH:25]2[C:24]([CH3:23])([OH:30])[CH2:29][CH2:28][CH2:27][CH2:26]2)[n:4][c:5](-[c:8]2[c:9](-[c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[n:10][n:11]3[c:12]2[cH:13][cH:14][cH:15][cH:16]3)[cH:6][cH:7]1