HRID1127834

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID1118

Sulfuric acid

H2O4S

HCID6328

Methyl iodide

CH3I

HCID7419

3-Aminobenzoic Acid

C7H7NO2

HCID66837

Benzoic acid, 3-(dimethylamino)-

C9H11NO2

结构：CN(C)c1ccc(C2(c3ccc(N(C)C)cc3)OC(=O)c3cc(N(C)C)ccc32)cc1

HCID73773

Crystal Violet lactone

C26H29N3O2

HCID92742

4,4'-Bis(dimethylamino)benzhydrol

C17H22N2O

PRODUCTS

生成物

结构：CN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2C(=O)O)cc1

HCID102063

Benzoic acid, 2-[bis[4-(dimethylamino)phenyl]methyl]-5-(dimethylamino)-

C26H31N3O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dfe53e2e5471417d875f40448c841f87
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:1][N:2]([c:3]1[cH:4][cH:5][c:6]([C:9]2([c:22]3[cH:23][cH:24][c:25]([N:28]([CH3:29])[CH3:30])[cH:26][cH:27]3)[O:10][C:11](=[O:12])[c:13]3[cH:14][c:15]([N:19]([CH3:20])[CH3:21])[cH:16][cH:17][c:18]32)[cH:7][cH:8]1)[CH3:31].[CH3:32][N:33]([CH3:34])[c:35]1[cH:36][c:37]([C:41]([OH:42])=[O:43])[cH:38][cH:39][cH:40]1.[CH3:54][I:55].[CH3:58][N:59]([CH3:60])[c:61]1[cH:62][cH:63][c:64]([CH:65]([OH:66])[c:67]2[cH:68][cH:69][c:70]([N:71]([CH3:72])[CH3:73])[cH:74][cH:75]2)[cH:76][cH:77]1.[K+:57].[NH2:44][c:45]1[cH:46][c:47]([C:48](=[O:49])[OH:50])[cH:51][cH:52][cH:53]1.[OH-:56].[S:78](=[O:79])(=[O:80])([OH:81])[OH:82]>>[CH3:1][N:2]([c:3]1[cH:4][cH:5][c:6]([CH:9]([c:18]2[c:13]([C:11](=[O:10])[OH:12])[cH:14][c:15]([N:19]([CH3:20])[CH3:21])[cH:16][cH:17]2)[c:22]2[cH:23][cH:24][c:25]([N:28]([CH3:29])[CH3:30])[cH:26][cH:27]2)[cH:7][cH:8]1)[CH3:31]