Toluene → HCID 68855304, compound

HRID 2317047Notes

Reaction equation

HRID 2317047 reaction equation
[CH2:34]([P:35]([CH2:36][CH2:37][CH2:38][CH3:39])[CH2:40][CH2:41][CH2:42][CH3:43])[CH2:44][CH2:45][CH3:46].[CH3:20][O:21][C:22]([CH2:23][CH2:24][c:25]1[c:26]([CH3:32])[cH:27][c:28]([SH:31])[cH:29][cH:30]1)=[O:33].[CH3:65][c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1.[CH3:72][CH2:73][CH2:74][CH2:75][CH2:76][CH3:77].[I:1][c:2]1[c:3]([CH:17]([CH3:18])[OH:19])[s:4][c:5](-[c:7]2[cH:8][cH:9][c:10]([C:13]([F:14])([F:15])[F:16])[cH:11][cH:12]2)[cH:6]1.[N:47]([C:48]([N:49]1[CH2:50][CH2:51][CH2:52][CH2:53][CH2:54]1)=[O:55])=[N:56][C:57]([N:58]1[CH2:59][CH2:60][CH2:61][CH2:62][CH2:63]1)=[O:64]>>[I:1][c:2]1[c:3]([CH:17]([CH3:18])[S:31][c:28]2[cH:27][c:26]([CH3:32])[c:25]([CH2:24][CH2:23][C:22]([O:21][CH3:20])=[O:33])[cH:30][cH:29]2)[s:4][c:5](-[c:7]2[cH:8][cH:9][c:10]([C:13]([F:14])([F:15])[F:16])[cH:11][cH:12]2)[cH:6]1

Participants

7

Reactant 6

HCID 1140TolueneHCID 8058HexaneHCID 13831TributylphosphineHCID 730421,1'-(Azodicarbonyl)dipiperidineHCID 541446143-(4-Mercapto-2-methyl-phenyl)-propionic Acid Methyl EsterHCID 57594992HCID 57594992, compound

Product 1

HCID 68855304HCID 68855304, compound

Sources & evidence

ORD record
ord-bceb428710fc447784de44eab5b88332
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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