HRID2346210

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6212

Chloroform

CHCl3

HCID6344

Dichloromethane

CH2Cl2

HCID7397

p-Toluenesulfonyl chloride

C7H7ClO2S

HCID70297

Benzenecarboperoxoic acid, 3-chloro-

C7H5ClO3

反应SMILES：CCOCc1nc2cnc3ccccc3c2n1NC(CC)CC

HCID21075786

未命名化合物

PRODUCTS

产物

反应SMILES：CCOCc1nc2c(N)nc3ccccc3c2n1NC(CC)CC

HCID10404184

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e8459317a95f45beac09b78f41834146
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

[CH2:1]([CH3:2])[O:3][CH2:4][c:5]1[n:6]([NH:18][CH:19]([CH2:20][CH3:21])[CH2:22][CH3:23])[c:7]2[c:8]([cH:9][n:10][c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]23)[n:17]1.[CH3:52][OH:53].[Cl:48][CH2:49][Cl:50].[Cl:54][CH:55]([Cl:56])[Cl:57].[NH4+:36].[OH-:35].[OH2:51].[OH:24][O:25][C:26]([c:27]1[cH:28][c:29]([Cl:30])[cH:31][cH:32][cH:33]1)=[O:34].[c:37]1([CH3:38])[cH:39][cH:40][c:41]([S:42]([Cl:43])(=[O:44])=[O:45])[cH:46][cH:47]1>>[CH2:1]([CH3:2])[O:3][CH2:4][c:5]1[n:6]([NH:18][CH:19]([CH2:20][CH3:21])[CH2:22][CH3:23])[c:7]2[c:8]([c:9]([NH2:36])[n:10][c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]23)[n:17]1