HRID103636

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

2 次

反应SMILES：CN(C)c1ccc(C(c2ccc(N(C)C)cc2C(=O)O)c2ccc(N(C)C)cc2N(C)C)cc1

HCID112438

未命名化合物

PRODUCTS

产物

反应SMILES：CN(C)c1ccc(C2(c3ccc(N(C)C)cc3N(C)C)OC(=O)c3cc(N(C)C)ccc32)cc1

HCID103693

1(3H)-Isobenzofuranone, 3-[2,4-bis(dimethylamino)phenyl]-6-(dimethylamino)-3-[4-(dimethylamino)phenyl]-

C28H34N4O2

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ce089673084046bbaf8b33c2931511b8
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

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