Toluene → HCID 86647620, compound
Reaction equation
[CH2:71]1[O:72][CH2:73][CH2:74][CH2:75]1.[CH3:64][c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1.[CH:55]([N:56]([CH2:57][CH3:58])[CH:59]([CH3:60])[CH3:61])([CH3:62])[CH3:63].[F:17][c:18]1[cH:19][c:20]([CH2:21][c:22]2[cH:23][c:24]3[c:25]([NH2:50])[n:26][n:27]([C:31]([c:32]4[cH:33][cH:34][cH:35][cH:36][cH:37]4)([c:38]4[cH:39][cH:40][cH:41][cH:42][cH:43]4)[c:44]4[cH:45][cH:46][cH:47][cH:48][cH:49]4)[c:28]3[cH:29][cH:30]2)[cH:51][c:52]([F:54])[cH:53]1.[F:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][c:8]([CH:11]=[O:12])[cH:9][cH:10]1.[S:13]([Cl:14])([Cl:15])=[O:16]>>[F:1][c:2]1[c:3]([C:4](=[O:6])[NH:50][c:25]2[c:24]3[cH:23][c:22]([CH2:21][c:20]4[cH:19][c:18]([F:17])[cH:53][c:52]([F:54])[cH:51]4)[cH:30][cH:29][c:28]3[n:27]([C:31]([c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)([c:38]3[cH:39][cH:40][cH:41][cH:42][cH:43]3)[c:44]3[cH:45][cH:46][cH:47][cH:48][cH:49]3)[n:26]2)[cH:7][c:8]([CH:11]=[O:12])[cH:9][cH:10]1Participants
7
Sources & evidence
- ORD record
- ord-a31c37c8d806491fa52858ec80fae0ec
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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