HRID209550

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

结构：COc1c(F)c(F)c(N)c2c(=O)c(C(=O)O)c(C)n(C3CC3)c12

HCID59002952

未命名化合物

PRODUCTS

生成物

结构：COc1c(NCCNc2ccccn2)c(F)c(N)c2c(=O)c(C(=O)O)c(C)n(C3CC3)c12

HCID24754256

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7eefa09e55ad4e4f9c4a3a61717837e9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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