HRID166651

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID9321

Hydrazine

H4N2

结构：CC(C)Oc1ccc(C(=O)NC(Cc2ccc(-c3cn4cccc(C(C)O)c4n3)cc2)CN2C(=O)c3ccccc3C2=O)cc1Cl

HCID69643544

未命名化合物

PRODUCTS

生成物

结构：CC(C)Oc1ccc(C(=O)NC(CN)Cc2ccc(-c3cn4cccc(C(C)O)c4n3)cc2)cc1Cl

HCID76613277

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-315cce0ac92542f4b10315411fcab931
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:50][CH2:51][OH:52].[Cl:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[NH:7][CH:8]([CH2:9][N:10]2[C:11](=[O:12])[c:13]3[c:14]([cH:15][cH:16][cH:17][cH:18]3)[C:19]2=[O:20])[CH2:21][c:22]2[cH:23][cH:24][c:25](-[c:28]3[n:29][c:30]4[n:31]([cH:32][cH:33][cH:34][c:35]4[CH:36]([CH3:37])[OH:38])[cH:39]3)[cH:26][cH:27]2)[cH:40][cH:41][c:42]1[O:43][CH:44]([CH3:45])[CH3:46].[NH2:48][NH2:49].[OH2:47]>>[Cl:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[NH:7][CH:8]([CH2:9][NH2:10])[CH2:21][c:22]2[cH:23][cH:24][c:25](-[c:28]3[n:29][c:30]4[n:31]([cH:32][cH:33][cH:34][c:35]4[CH:36]([CH3:37])[OH:38])[cH:39]3)[cH:26][cH:27]2)[cH:40][cH:41][c:42]1[O:43][CH:44]([CH3:45])[CH3:46]