HRID2147739

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1084

Thiosulfate(2-)

O3S2-2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID31398

N-Chlorosuccinimide

C4H4ClNO2

结构：COc1cc2c(cc1Br)-c1cc3c(n1CC2)C(=O)N(C(C)(C)C)CCCC3

HCID58124845

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(cc1Br)-c1c(Cl)c3c(n1CC2)C(=O)N(C(C)(C)C)CCCC3

HCID58124954

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bd4f546aec6d4610acaddd1349e383d7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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