HRID687127

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID23925

Iron

结构：Cc1c(NC(=O)c2cc3c(s2)CCCC3)cccc1-c1cn(C)c(=O)c(Nc2ccc(C(=O)N(C)CCO)c([N+](=O)[O-])c2)n1

HCID58728964

未命名化合物

PRODUCTS

生成物

结构：Cc1c(NC(=O)c2cc3c(s2)CCCC3)cccc1-c1cn(C)c(=O)c(Nc2ccc(C(=O)N(C)CCO)c(N)c2)n1

HCID58729103

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-71ba9650047f45248ea0a1d443bc185e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:47][CH2:48][OH:49].[Cl-:45].[Fe:51].[NH4+:46].[OH2:50].[OH:1][CH2:2][CH2:3][N:4]([C:5](=[O:6])[c:7]1[c:8]([N+:41]([O-:42])=[O:43])[cH:9][c:10]([NH:13][c:14]2[c:15](=[O:40])[n:16]([CH3:39])[cH:17][c:18](-[c:20]3[c:21]([CH3:38])[c:22]([NH:26][C:27](=[O:28])[c:29]4[cH:30][c:31]5[c:32]([s:33]4)[CH2:34][CH2:35][CH2:36][CH2:37]5)[cH:23][cH:24][cH:25]3)[n:19]2)[cH:11][cH:12]1)[CH3:44]>>[OH:1][CH2:2][CH2:3][N:4]([C:5](=[O:6])[c:7]1[c:8]([NH2:41])[cH:9][c:10]([NH:13][c:14]2[c:15](=[O:40])[n:16]([CH3:39])[cH:17][c:18](-[c:20]3[c:21]([CH3:38])[c:22]([NH:26][C:27](=[O:28])[c:29]4[cH:30][c:31]5[c:32]([s:33]4)[CH2:34][CH2:35][CH2:36][CH2:37]5)[cH:23][cH:24][cH:25]3)[n:19]2)[cH:11][cH:12]1)[CH3:44]