HRID1575946

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

4 次

HCID962

Water

H2O

HCID1099

Sulfite

O3S-2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6479

1,3-Dibromo-5,5-dimethylhydantoin

C5H6Br2N2O2

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

结构：CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccc4c(N)ncnn34)c2)CC1

HCID58529638

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cc(Br)c4c(N)ncnn34)c2)CC1

HCID58529756

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a1d7bf646d3b429abe68037c1eb81331
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:35][N:36]1[C:37]([CH3:38])([CH3:39])[C:40](=[O:41])[N:42]([Br:43])[C:44]1=[O:45].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[cH:15][c:16](-[c:20]3[cH:21][cH:22][c:23]4[c:24]([NH2:29])[n:25][cH:26][n:27][n:28]34)[cH:17][cH:18][cH:19]2)[CH2:12][CH2:13]1.[C:57](=[O:58])([O-:59])[O-:60].[CH2:30]1[O:31][CH2:32][CH2:33][CH2:34]1.[CH3:46][CH2:47][O:48][C:49]([CH3:50])=[O:51].[Na+:61].[Na+:62].[Na+:67].[Na+:68].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[OH2:69].[S:63]([O-:64])([O-:65])=[O:66]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[cH:15][c:16](-[c:20]3[cH:21][c:22]([Br:35])[c:23]4[c:24]([NH2:29])[n:25][cH:26][n:27][n:28]34)[cH:17][cH:18][cH:19]2)[CH2:12][CH2:13]1