HRID2321520

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

反应SMILES：CN(C(=O)OC(C)(C)C)c1ccc(Nc2ncnc(N(Cc3ccccc3)Cc3ccccc3)c2[N+](=O)[O-])cc1

HCID86761990

Tert-butyl 4-(6-(dibenzylamino)-5-nitropyrimidin-4-ylamino)phenyl(methyl)carbamate

C30H32N6O4

PRODUCTS

产物

反应SMILES：CN(C(=O)OC(C)(C)C)c1ccc(Nc2ncnc(N(Cc3ccccc3)Cc3ccccc3)c2N)cc1

HCID86691222

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ab5117e2bc1f4ea8a1e3e8d82b2cf798
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]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([c:9]1[c:10]([N+:31]([O-:32])=[O:33])[c:11]([NH:15][c:16]2[cH:17][cH:18][c:19]([N:22]([C:23]([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[CH3:30])[cH:20][cH:21]2)[n:12][cH:13][n:14]1)[CH2:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[CH3:48][OH:49].[Cl-:41].[NH4+:42].[OH2:50]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([c:9]1[c:10]([NH2:31])[c:11]([NH:15][c:16]2[cH:17][cH:18][c:19]([N:22]([C:23]([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[CH3:30])[cH:20][cH:21]2)[n:12][cH:13][n:14]1)[CH2:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1