HRID211554

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

反应SMILES：O=C(NC1CCSc2cc(C(=O)Nc3ccnc4c3ccn4CO)ccc21)OCc1ccccc1

HCID22337463

未命名化合物

PRODUCTS

产物

反应SMILES：O=C(NC1CCSc2cc(C(=O)Nc3ccnc4[nH]ccc34)ccc21)OCc1ccccc1

HCID22337479

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a18b081f350c4adeae147b5bccbf703d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

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