HRID684863

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID223

Ammonia ion (NH4+)

H4N+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID31214

Ethyl orthoformate

C7H16O3

结构：Cc1cccc(NC2(C(N)=O)CCN(Cc3ccccc3)CC2)c1

HCID21193198

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(N2C=NC(=O)C23CCN(Cc2ccccc2)CC3)c1

HCID21268369

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-81308be83ecb4675a9095eb44d1d7976
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH2:10][C:11]([C:12](=[O:13])[NH2:14])([NH:17][c:18]2[cH:19][c:20]([CH3:24])[cH:21][cH:22][cH:23]2)[CH2:15][CH2:16]1.[CH3:25][C:26](=[O:27])[OH:28].[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[CH:29]([O:30][CH2:31][CH3:32])([O:33][CH2:34][CH3:35])[O:36][CH2:37][CH3:38].[NH4+:39].[OH-:40].[OH2:48]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH2:10][C:11]2([C:12](=[O:13])[N:14]=[CH:25][N:17]2[c:18]2[cH:19][c:20]([CH3:24])[cH:21][cH:22][cH:23]2)[CH2:15][CH2:16]1