4-(Trifluoromethyl)aniline → HCID 178522271, compound
Reaction equation
[CH2:12]([O:13][CH:14]([O:15][CH2:16][CH3:17])[O:18][CH2:19][CH3:20])[CH3:21].[Cl:22][c:23]1[cH:24][cH:25][cH:26][cH:27][c:28]1-[c:29]1[nH:30][n:31][c:32]([CH:33]2[CH2:34][CH2:35]2)[c:36]1[C:37]([NH:38][c:39]1[cH:40][cH:41][c:42]([C:43]([F:44])([F:45])[F:46])[cH:47][cH:48]1)=[O:49].[Cl:50][c:51]1[cH:52][cH:53][cH:54][cH:55][c:56]1-[c:57]1[nH:58][n:59][c:60]([CH:61]2[CH2:62][CH2:63]2)[c:64]1[C:65]([NH:66][c:67]1[cH:68][cH:69][c:70]([C:71]([F:72])([F:73])[F:74])[c:75]([CH3:76])[cH:77]1)=[O:78].[Cl:79][c:80]1[c:81](-[c:86]2[c:87]([C:94](=[O:95])[NH:96][c:97]3[cH:98][c:99]([CH3:110])[c:100]([S:103](=[O:104])(=[O:105])[C:106]([F:107])([F:108])[F:109])[cH:101][cH:102]3)[c:88]([CH:91]3[CH2:92][CH2:93]3)[n:89][nH:90]2)[cH:82][cH:83][cH:84][cH:85]1.[F:1][C:2]([F:3])([F:4])[c:5]1[cH:6][cH:7][c:8]([NH2:9])[cH:10][cH:11]1>>[Cl:79][c:80]1[c:81](-[c:86]2[c:87]([C:94](=[O:95])[NH:96][c:97]3[cH:98][cH:99][c:100]([S:103](=[O:104])(=[O:105])[C:106]([F:107])([F:108])[F:109])[cH:101][cH:102]3)[c:88]([CH:91]3[CH2:92][CH2:93]3)[n:89][nH:90]2)[cH:82][cH:83][cH:84][cH:85]1Participants
6
Sources & evidence
- ORD record
- ord-539a68cbbc824ee8929d127d8e9820ec
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
Loading…