HRID1138685

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID5943

Carbon tetrachloride

CCl4

HCID67184

1-Bromopyrrolidine-2,5-dione

C4H4BrNO2

反应SMILES：CC(C)(C)OC(=O)COC1CCCC(Oc2ncnc3occ(-c4ccccc4)c23)C1

HCID178451337

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)OC(=O)COC1CCCC(Oc2ncnc3oc(Br)c(-c4ccccc4)c23)C1

HCID178451336

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-8e33446883da4f4fbd64b62f876bf4bb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

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