HRID2316366

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(N)(CO)c1ccc2cc(OC3CCC(C(F)(F)F)CC3)ccc2c1

HCID67414095

未命名化合物

结构：CC1(c2ccc3c(C(F)(F)F)c(OC4CCC(C(F)(F)F)CC4)ccc3c2)COC(=O)N1

HCID87389979

未命名化合物

PRODUCTS

生成物

结构：CC(N)(CO)c1ccc2c(C(F)(F)F)c(OC3CCC(C(F)(F)F)CC3)ccc2c1

HCID75170325

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3bf12845f7424bd8b0c5b8dcbaf978b9
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

[CH3:27][C:28]1([c:34]2[cH:35][c:36]3[cH:37][cH:38][c:39]([O:48][CH:49]4[CH2:50][CH2:51][CH:52]([C:55]([F:56])([F:57])[F:58])[CH2:53][CH2:54]4)[c:40]([C:44]([F:45])([F:46])[F:47])[c:41]3[cH:42][cH:43]2)[NH:29][C:30](=[O:33])[O:31][CH2:32]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]([F:17])([F:18])[F:19])[CH2:20][CH2:21]3)[cH:22]2)[cH:23]1)([CH3:24])[CH2:25][OH:26]>>[CH3:27][C:28]([NH2:29])([CH2:32][OH:31])[c:34]1[cH:35][c:36]2[cH:37][cH:38][c:39]([O:48][CH:49]3[CH2:50][CH2:51][CH:52]([C:55]([F:56])([F:57])[F:58])[CH2:53][CH2:54]3)[c:40]([C:44]([F:45])([F:46])[F:47])[c:41]2[cH:42][cH:43]1