HRID2138731

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID66671362

未命名化合物

结构：CNCCCN(C)C(=O)COC1Cc2ccccc2C12CCN(CCC1(c3ccc(F)cc3)CN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CO1)CC2

HCID178483792

未命名化合物

PRODUCTS

生成物

结构：CN(CCCN(C)C(=O)c1ccc(CCN(C)C(=O)OC(C)(C)C)cc1)C(=O)COC1Cc2ccccc2C12CCN(CCC1(c3ccc(F)cc3)CN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CO1)CC2

HCID178483780

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c3a903741f4644ab990fff0790d81144
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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