Toluene → HCID 57996617, compound
Reaction equation
[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[CH:51]([OH:52])([CH3:53])[CH3:54].[F:1][C:2]([C:3]1=[CH:4][CH2:5][CH:6]([c:9]2[c:10]([F:32])[cH:11][c:12]([CH:15]3[CH2:16][CH2:17][CH:18]([CH:21]4[CH2:22][CH2:23][CH:24]([CH2:27][CH2:28][CH2:29][CH2:30][CH3:31])[CH2:25][CH2:26]4)[CH2:19][CH2:20]3)[cH:13][cH:14]2)[CH2:7][CH2:8]1)([O:33][c:34]1[cH:35][c:36]([F:42])[c:37]([F:41])[c:38]([F:40])[cH:39]1)[F:43]>>[F:1][C:2]([CH:3]1[CH2:4][CH2:5][CH:6]([c:9]2[c:10]([F:32])[cH:11][c:12]([CH:15]3[CH2:16][CH2:17][CH:18]([CH:21]4[CH2:22][CH2:23][CH:24]([CH2:27][CH2:28][CH2:29][CH2:30][CH3:31])[CH2:25][CH2:26]4)[CH2:19][CH2:20]3)[cH:13][cH:14]2)[CH2:7][CH2:8]1)([O:33][c:34]1[cH:35][c:36]([F:42])[c:37]([F:41])[c:38]([F:40])[cH:39]1)[F:43]Participants
4
Sources & evidence
- ORD record
- ord-f1bc43fb8c9d467bafc792a0817ecd6a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
Loading…