HRID1126815

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID787

Hydroxylamine

H3NO

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

结构：CC(C)CCn1c(Cn2c(=O)n(C(C)C)c3ccccc32)nc2cc(C#N)ccc21

HCID22349324

未命名化合物

PRODUCTS

生成物

结构：CC(C)CCn1c(Cn2c(=O)n(C(C)C)c3ccccc32)nc2cc(C(=N)NO)ccc21

HCID178446107

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-602d9f286b5441e1bf95a76609edb628
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

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