HRID169126

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8454

N-Methylpyrrolidine

C5H11N

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

结构：COC(=O)C1CC(OS(=O)(=O)c2ccc(Br)cc2)CN1C(=O)OC(C)(C)C

HCID20752709

未命名化合物

HCID57617105

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1CC(Oc2cc(-c3ccccc3)nc3cc(OC)c(Br)cc23)CN1C(=O)OC(C)(C)C

HCID178498491

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e50d5639c83e492395468eee081af427
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

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