HRID136431

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID410428

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

C7H11N3

结构：COc1c(F)c(F)c(N)c2c(=O)c(C(=O)O)cn(Cc3ccccc3)c12

HCID59002905

未命名化合物

PRODUCTS

生成物

结构：COc1c(NCCNc2ccccn2)c(F)c(N)c2c(=O)c(C(=O)O)cn(Cc3ccccc3)c12

HCID59002919

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-17b1b169f7254b6a94a461dd60677e4a
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

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