HRID318496

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID66597864

未命名化合物

HCID66598752

未命名化合物

结构：CC=Cc1cc(C(OCc2ccccc2)(C(F)(F)F)C(F)(F)F)ccc1N1CCN(C(=O)CBr)CC1C

HCID90994843

未命名化合物

PRODUCTS

生成物

结构：CC=Cc1cc(C(OCc2ccccc2)(C(F)(F)F)C(F)(F)F)ccc1N1CCN(C(=O)CN2C(=O)NC(C)(c3cnc4c(c3)OCCO4)C2=O)CC1C

HCID72327305

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-50e72c18687a4a09bbea552da44d930e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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