HRID2322677

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID81121

Pyridine, 5-amino-2-methoxy-

C6H8N2O

HCID81531

Diisopropylethylamine

C8H19N

结构：O=C(Nc1ccc(Sc2ccc(C(=O)Cl)cc2[N+](=O)[O-])cc1)OCC1c2ccccc2-c2ccccc21

HCID86615543

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(NC(=O)c2ccc(Sc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)c([N+](=O)[O-])c2)cn1

HCID67040155

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2ec964cb0d9344aa96155e09a6c0b86b
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

[CH3:61][CH2:62][O:63][C:64](=[O:65])[CH3:66].[CH:47]([N:48]([CH:49]([CH3:50])[CH3:51])[CH2:52][CH3:53])([CH3:54])[CH3:55].[NH2:38][c:39]1[cH:40][cH:41][c:42]([O:45][CH3:46])[n:43][cH:44]1.[O:56]1[CH2:57][CH2:58][CH2:59][CH2:60]1.[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:13]1[CH:12]([CH2:14][O:15][C:16]([NH:17][c:18]1[cH:19][cH:20][c:21]([S:24][c:25]3[c:26]([N+:34](=[O:35])[O-:36])[cH:27][c:28]([C:31](=[O:32])[Cl:33])[cH:29][cH:30]3)[cH:22][cH:23]1)=[O:37])[c:11]1[c:6]-2[cH:7][cH:8][cH:9][cH:10]1>>[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:13]1[CH:12]([CH2:14][O:15][C:16]([NH:17][c:18]1[cH:19][cH:20][c:21]([S:24][c:25]3[c:26]([N+:34](=[O:35])[O-:36])[cH:27][c:28]([C:31](=[O:32])[NH:38][c:39]4[cH:40][cH:41][c:42]([O:45][CH3:46])[n:43][cH:44]4)[cH:29][cH:30]3)[cH:22][cH:23]1)=[O:37])[c:11]1[c:6]-2[cH:7][cH:8][cH:9][cH:10]1