Toluene → HCID 68884318, compound

HRID 2310840Notes

Reaction equation

HRID 2310840 reaction equation
[CH3:1][c:2]1[c:3]([CH2:13][O:14][c:15]2[n:16][o:17][c:18]([CH2:20][OH:21])[cH:19]2)[n:4][c:5](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[o:6]1.[CH3:65][c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1.[O:53]=[C:54]([O:55][CH2:56][CH3:57])[N:58]=[N:59][C:60]([O:61][CH2:62][CH3:63])=[O:64].[O:72]1[CH2:73][CH2:74][CH2:75][CH2:76]1.[OH:22][c:23]1[c:24]([CH2:29][C:30](=[O:31])[O:32][CH3:33])[cH:25][cH:26][cH:27][cH:28]1.[c:34]1([P:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[cH:48][cH:49][cH:50][cH:51][cH:52]1>>[CH3:1][c:2]1[c:3]([CH2:13][O:14][c:15]2[n:16][o:17][c:18]([CH2:20][O:21][c:23]3[c:24]([CH2:29][C:30](=[O:31])[O:32][CH3:33])[cH:25][cH:26][cH:27][cH:28]3)[cH:19]2)[n:4][c:5](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[o:6]1

Participants

7

Reactant 6

HCID 1140TolueneHCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 89719Methyl (2-hydroxyphenyl)acetateHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 178612053-(5-Methyl-2-phenyl-4-oxazolylmethoxy)-5-isoxazolylmethanol

Product 1

HCID 68884318HCID 68884318, compound

Sources & evidence

ORD record
ord-94a8290897e04d55a6b8dcb50cbd3250
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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