HRID2144529

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID70297

Benzenecarboperoxoic acid, 3-chloro-

C7H5ClO3

结构：CCOCc1nc2cnc3ccccc3c2n1CC1(O)CCN(C(=O)OC(C)(C)C)CC1

HCID57515386

未命名化合物

PRODUCTS

生成物

结构：CCOCc1nc2c(N)nc3ccccc3c2n1CC1(O)CCN(C(=O)OC(C)(C)C)CC1

HCID57515383

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a2abc81b328d40c788aee33f4aca7b23
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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