HRID286416

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID410428

N~1~-(Pyridin-2-yl)ethane-1,2-diamine

C7H11N3

反应SMILES：COc1c(F)c(F)c(N)c2c(=O)c(C(=O)O)c(-c3ccccc3)n(C3CC3)c12

HCID59003044

未命名化合物

PRODUCTS

产物

反应SMILES：COc1c(NCCNc2ccccn2)c(F)c(N)c2c(=O)c(C(=O)O)c(-c3ccccc3)n(C3CC3)c12

HCID59002945

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-05af718e69334970a262f3328a7ea226
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

[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[CH3:48][S:49]([CH3:50])=[O:51].[Cl-:46].[NH2:1][c:2]1[c:3]2[c:4](=[O:28])[c:5]([C:25](=[O:26])[OH:27])[c:6](-[c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[n:7]([CH:16]3[CH2:17][CH2:18]3)[c:8]2[c:9]([O:14][CH3:15])[c:10]([F:13])[c:11]1[F:12].[NH4+:47].[OH2:52].[n:29]1[c:30]([NH:35][CH2:36][CH2:37][NH2:38])[cH:31][cH:32][cH:33][cH:34]1>>[NH2:1][c:2]1[c:3]2[c:4](=[O:28])[c:5]([C:25](=[O:26])[OH:27])[c:6](-[c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[n:7]([CH:16]3[CH2:17][CH2:18]3)[c:8]2[c:9]([O:14][CH3:15])[c:10]([NH:38][CH2:37][CH2:36][NH:35][c:30]2[n:29][cH:34][cH:33][cH:32][cH:31]2)[c:11]1[F:12]