HRID137584

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11075603

未命名化合物

结构：CCCCC(N)(COCc1cc(C(=O)NC(C)c2ccc(F)cc2)cc(N(C)S(C)(=O)=O)c1)Cc1ccccc1

HCID11192368

未命名化合物

结构：CC(NC(=O)c1cc(CBr)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1

HCID73241929

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)c1cc(COCC(N)(Cc2ccccc2)Cc2ccccc2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1

HCID72981818

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1a9715263d314b3d98740225d7a19fea
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

[CH3:1][N:2]([S:3](=[O:4])(=[O:5])[CH3:6])[c:7]1[cH:8][c:9]([C:10](=[O:11])[NH:12][CH:13]([CH3:14])[c:15]2[cH:16][cH:17][c:18]([F:21])[cH:19][cH:20]2)[cH:22][c:23]([CH2:25][Br:26])[cH:24]1.[NH2:27][C:28]([CH2:29][OH:30])([CH2:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[CH2:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[NH2:45][C:46]([CH2:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1)([CH2:54][CH2:55][CH2:56][CH3:57])[CH2:58][O:59][CH2:60][c:61]1[cH:62][c:63]([C:73]([NH:74][CH:75]([c:76]2[cH:77][cH:78][c:79]([F:80])[cH:81][cH:82]2)[CH3:83])=[O:84])[cH:64][c:65]([N:66]([CH3:67])[S:68]([CH3:69])(=[O:70])=[O:71])[cH:72]1>>[CH3:1][N:2]([S:3](=[O:4])(=[O:5])[CH3:6])[c:7]1[cH:8][c:9]([C:10](=[O:11])[NH:12][CH:13]([CH3:14])[c:15]2[cH:16][cH:17][c:18]([F:21])[cH:19][cH:20]2)[cH:22][c:23]([CH2:25][O:30][CH2:29][C:28]([NH2:27])([CH2:31][c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[CH2:38][c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[cH:24]1