HRID1152657

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID712

Formaldehyde

CH2O

HCID887

Methanol

CH4O

HCID8028

Tetrahydrofuran

C4H8O

结构：Cc1cc(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c3c(C)n[nH]c3n2)c(OC(C)C)cc1C1CCNCC1

HCID178428323

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c3c(C)n[nH]c3n2)c(OC(C)C)cc1C1CCN(C)CC1

HCID178428324

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f0898d5ba2c3480c8b31095f0287eed5
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:42]([OH:43])(=[O:44])[CH3:45].[CH2:46]=[O:47].[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH3:50][OH:51].[CH:1]([CH3:2])([CH3:3])[O:4][c:5]1[c:6]([NH:18][c:19]2[n:20][c:21]([NH:29][c:30]3[c:31]([S:36](=[O:37])(=[O:38])[CH:39]([CH3:40])[CH3:41])[cH:32][cH:33][cH:34][cH:35]3)[c:22]3[c:23]([n:24]2)[nH:25][n:26][c:27]3[CH3:28])[cH:7][c:8]([CH3:17])[c:9]([CH:11]2[CH2:12][CH2:13][NH:14][CH2:15][CH2:16]2)[cH:10]1.[Cl-:48].[NH4+:49]>>[CH:1]([CH3:2])([CH3:3])[O:4][c:5]1[c:6]([NH:18][c:19]2[n:20][c:21]([NH:29][c:30]3[c:31]([S:36](=[O:37])(=[O:38])[CH:39]([CH3:40])[CH3:41])[cH:32][cH:33][cH:34][cH:35]3)[c:22]3[c:23]([n:24]2)[nH:25][n:26][c:27]3[CH3:28])[cH:7][c:8]([CH3:17])[c:9]([CH:11]2[CH2:12][CH2:13][N:14]([CH3:42])[CH2:15][CH2:16]2)[cH:10]1