HRID2159072

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID887

Methanol

CH4O

HCID978

4-Aminobenzoic acid

C7H7NO2

结构：CC[n+]1c(C=Cc2ccc(N3CCCC3)cc2)cccc1C=Cc1ccc(N2CCCC2)cc1

HCID19612

Stilbazium

C31H36N3+

HCID5360545

Sodium

PRODUCTS

生成物

HCID4876

Benzoic acid, 4-amino-, ion(1-)

C7H6NO2-

HCID19612

Stilbazium

C31H36N3+

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-525329f49bef4292b5927cb266c03754
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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