HRID146476

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cc1nc(CCN2c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3CC2C)c(-c2ccccc2)o1

HCID11705752

未命名化合物

HCID15616442

未命名化合物

结构：CC1Cc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1

HCID23346126

未命名化合物

PRODUCTS

生成物

HCID11705752

未命名化合物

结构：Cc1oc(-c2ccccc2)nc1CCN1c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2CC1C

HCID21082193

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dc3ece5b542e4541a3936a14b2f68926
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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