HRID1139385

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID8857

Ethyl acetate

C4H8O2

HCID12679

Hexamethylphosphoramide

C6H18N3OP

HCID28486

Lithium ion

Li+

结构：Cc1ccc(S(=O)(=O)OCC(OC2NC(=O)C2NC(=O)C(Cc2ccccc2)NC(=O)CCc2ccccc2)c2ccccc2)cc1

HCID178427776

未命名化合物

PRODUCTS

生成物

结构：O=C(CCc1ccccc1)NC(Cc1ccccc1)C(=O)NC1C(=O)NC1OC(CBr)c1ccccc1

HCID178520441

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fe004f5788154958af3d93bb35956cd5
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

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