Toluene → HCID 68505359, compound

HRID 1207661Notes

Reaction equation

HRID 1207661 reaction equation
[CH:1]([C:2](=[O:3])[O:4][CH2:5][CH3:6])([C:7](=[O:8])[O:9][CH2:10][CH3:11])[C:12](=[O:13])[O:14][CH2:15][CH3:16].[N+:17](=[O:18])([O-:19])[c:20]1[cH:21][cH:22][c:23]([CH2:24][CH2:25][OH:26])[cH:27][cH:28]1.[N:55]([C:56]([O:57][CH:58]([CH3:59])[CH3:60])=[O:61])=[N:62][C:63]([O:64][CH:65]([CH3:66])[CH3:67])=[O:68].[c:29]1([P:30]([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[cH:43][cH:44][cH:45][cH:46][cH:47]1.[c:48]1([CH3:49])[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[C:1]([C:2](=[O:3])[O:4][CH2:5][CH3:6])([C:7](=[O:8])[O:9][CH2:10][CH3:11])([C:12](=[O:13])[O:14][CH2:15][CH3:16])[CH2:25][CH2:24][c:23]1[cH:22][cH:21][c:20]([N+:17](=[O:18])[O-:19])[cH:28][cH:27]1

Participants

6

Reactant 5

HCID 1140TolueneHCID 74944-Nitrophenethyl alcoholHCID 11776TriphenylphosphineHCID 75555Diisopropyl diazene-1,2-dicarboxylateHCID 80471Triethyl methanetricarboxylate

Product 1

HCID 68505359HCID 68505359, compound

Sources & evidence

ORD record
ord-74222d230d794722914ad9bfb771e9eb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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