HRID110647

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COC(=O)NC(CCC(F)(F)F)C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc(C5CCCN5C(=O)OC(C)(C)C)[nH]4)cc3)cc2)[nH]1

HCID66620971

未命名化合物

HCID72338020

未命名化合物

PRODUCTS

生成物

结构：COC(=O)NC(CCOCC(F)(F)F)C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc(C5CCCN5C(=O)OC(C)(C)C)[nH]4)cc3)cc2)[nH]1

HCID66621107

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-047105ffd453482baf4b296ede9b0439
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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