Toluene → HCID 136375590, compound
Reaction equation
[Br:1][CH2:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[c:10]3[cH:11][cH:12][c:13]([nH:14]3)[c:15](-[c:51]3[c:52]([CH3:59])[cH:53][c:54]([CH3:58])[cH:55][c:56]3[CH3:57])[c:16]3[cH:17][cH:18][c:19]([c:20](-[c:41]4[c:42]([CH3:49])[cH:43][c:44]([CH3:48])[cH:45][c:46]4[CH3:47])[c:21]4[cH:22][cH:23][c:24]([c:25](-[c:31]5[c:32]([CH3:39])[cH:33][c:34]([CH3:38])[cH:35][c:36]5[CH3:37])[c:26]5[cH:27][cH:28][c:29]2[n:30]5)[nH:40]4)[n:50]3)[cH:7][cH:8]1.[CH3:60][O:61][P:62]([O:63][CH3:64])[O:65][CH3:66].[CH3:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1>>[CH2:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[c:10]3[cH:11][cH:12][c:13]([nH:14]3)[c:15](-[c:51]3[c:52]([CH3:59])[cH:53][c:54]([CH3:58])[cH:55][c:56]3[CH3:57])[c:16]3[cH:17][cH:18][c:19]([c:20](-[c:41]4[c:42]([CH3:49])[cH:43][c:44]([CH3:48])[cH:45][c:46]4[CH3:47])[c:21]4[cH:22][cH:23][c:24]([c:25](-[c:31]5[c:32]([CH3:39])[cH:33][c:34]([CH3:38])[cH:35][c:36]5[CH3:37])[c:26]5[cH:27][cH:28][c:29]2[n:30]5)[nH:40]4)[n:50]3)[cH:7][cH:8]1)[P:62]([O:61][CH3:60])([O:63][CH3:64])=[O:65]Participants
4
Sources & evidence
- ORD record
- ord-22233aab79c449bfa31f59b2f4ad846a
- Source dataset
- Test data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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