HRID1229376

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

结构：CC(C)(C)OC(=O)Nc1cccc(Nc2ncnc(N(Cc3ccccc3)Cc3ccccc3)c2[N+](=O)[O-])c1

HCID86761987

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1cccc(Nc2ncnc(N(Cc3ccccc3)Cc3ccccc3)c2N)c1

HCID86691211

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f0a0573266244f0281d337a23d0cb330
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

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