HRID1223340

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID9321

Hydrazine

H4N2

结构：COC(=O)c1cc(C(=O)N2CCC(c3cccnc3)C2)ccc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID46847415

未命名化合物

PRODUCTS

生成物

结构：NNC(=O)c1cc(C(=O)N2CCC(c3cccnc3)C2)ccc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID46847500

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f8588bd124b74ab2ace165baa1a350b8
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

[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[CH3:48][CH2:49][OH:50].[NH2:39][NH2:40].[OH2:38].[n:1]1[cH:2][c:3]([CH:7]2[CH2:8][N:9]([C:12](=[O:13])[c:14]3[cH:15][c:16]([C:34]([O:36][CH3:35])=[O:37])[c:17](-[c:20]4[cH:21][c:22]([C:30]([F:31])([F:32])[F:33])[cH:23][c:24]([C:26]([F:27])([F:28])[F:29])[cH:25]4)[cH:18][cH:19]3)[CH2:10][CH2:11]2)[cH:4][cH:5][cH:6]1>>[n:1]1[cH:2][c:3]([CH:7]2[CH2:8][N:9]([C:12](=[O:13])[c:14]3[cH:15][c:16]([C:34](=[O:36])[NH:39][NH2:40])[c:17](-[c:20]4[cH:21][c:22]([C:30]([F:31])([F:32])[F:33])[cH:23][c:24]([C:26]([F:27])([F:28])[F:29])[cH:25]4)[cH:18][cH:19]3)[CH2:10][CH2:11]2)[cH:4][cH:5][cH:6]1