Toluene → HCID 53706782, compound

HRID 1551088Notes

Reaction equation

HRID 1551088 reaction equation
[C:19]([CH3:20])([CH3:21])([CH3:22])[O:23][C:24](=[O:25])[NH:26][O:27][C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34].[CH3:66][c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1.[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][c:10]([CH:14]=[CH:15][CH:16]([CH3:17])[OH:18])[cH:11][cH:12][cH:13]1.[O:54]=[C:55]([O:56][CH2:57][CH3:58])[N:59]=[N:60][C:61]([O:62][CH2:63][CH3:64])=[O:65].[c:35]1([P:36]([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[cH:49][cH:50][cH:51][cH:52][cH:53]1>>[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][c:10]([CH:14]=[CH:15][CH:16]([CH3:17])[N:26]([C:24]([O:23][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:25])[O:27][C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[cH:11][cH:12][cH:13]1

Participants

6

Reactant 5

HCID 1140TolueneHCID 11776TriphenylphosphineHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 2728863tert-Butyl (((1,1-dimethylethoxy)carbonyl)oxy)carbamateHCID 538259454-(3-Phenoxyphenyl)but-3-en-2-ol

Product 1

HCID 53706782HCID 53706782, compound

Sources & evidence

ORD record
ord-41889e456a4d460c81b929569d517f67
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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