HRID305563

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID82634

1,3,4-Thiadiazol-2-amine, 5-(trifluoromethyl)-

C3H2F3N3S

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：O=C(Nc1ccc(Sc2ccc(C(=O)Nc3nnc(C(F)(F)F)s3)cc2[N+](=O)[O-])cc1)OCC1c2ccccc2-c2ccccc21

HCID67040654

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fc4517e332f54775bcb03ec7d7727a90
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:62][CH2:63][O:64][C:65](=[O:66])[CH3:67].[CH:48]([N:49]([CH:50]([CH3:51])[CH3:52])[CH2:53][CH3:54])([CH3:55])[CH3:56].[NH2:38][c:39]1[s:40][c:41]([C:44]([F:45])([F:46])[F:47])[n:42][n:43]1.[O:57]1[CH2:58][CH2:59][CH2:60][CH2:61]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[s:40][c:41]([C:44]([F:45])([F:46])[F:47])[n:42][n:43]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