HRID2342733

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(N)(CO)c1ccc2c(-c3ccc(OC(F)(F)F)cc3)c(OC3CCC(C(C)(C)C)CC3)ccc2c1

HCID67411707

未命名化合物

结构：CC1(c2ccc3c(-c4ccc(Cl)cc4)c(OC4CCC(C(C)(C)C)CC4)ccc3c2)COC(=O)N1

HCID67413938

未命名化合物

PRODUCTS

生成物

结构：CC(N)(CO)c1ccc2c(-c3ccc(Cl)cc3)c(OC3CCC(C(C)(C)C)CC3)ccc2c1

HCID67529840

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-35f5a624073648b38f04831bc17134b8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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