Toluene → HCID 57432044, compound
Reaction equation
[CH2:1]([P:2]([CH2:3][CH2:4][CH2:5][CH3:6])[CH2:7][CH2:8][CH2:9][CH3:10])[CH2:11][CH2:12][CH3:13].[CH3:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1.[F:29][C:30]([c:31]1[cH:32][cH:33][c:34](-[c:37]2[o:38][c:39]3[c:40]([n:41]2)[cH:42][cH:43][cH:44][c:45]3[CH2:46][OH:47])[cH:35][cH:36]1)([F:48])[F:49].[N:50]([C:51]([N:52]1[CH2:53][CH2:54][CH2:55][CH2:56][CH2:57]1)=[O:58])=[N:59][C:60]([N:61]1[CH2:62][CH2:63][CH2:64][CH2:65][CH2:66]1)=[O:67].[SH:14][c:15]1[cH:16][c:17]([CH3:28])[c:18]([O:19][CH2:20][C:21](=[O:22])[O:23][CH2:24][CH3:25])[cH:26][cH:27]1>>[S:14]([c:15]1[cH:16][c:17]([CH3:28])[c:18]([O:19][CH2:20][C:21](=[O:22])[O:23][CH2:24][CH3:25])[cH:26][cH:27]1)[CH2:46][c:45]1[c:39]2[o:38][c:37](-[c:34]3[cH:33][cH:32][c:31]([C:30]([F:29])([F:48])[F:49])[cH:36][cH:35]3)[n:41][c:40]2[cH:42][cH:43][cH:44]1Participants
6
Sources & evidence
- ORD record
- ord-e2891639c2a94b4793178de23f2081fe
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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