4-Nitrobenzoic Acid → HCID 178445052, compound

HRID 93609Notes

Reaction equation

HRID 93609 reaction equation
[CH2:79]1[O:80][CH2:81][CH2:82][CH2:83]1.[CH3:46][O:47][C:48]([CH2:49][CH2:50][CH2:51][CH:52]=[CH:53][CH2:54][CH:55]1[CH:56]([c:62]2[cH:63][cH:64][c:65]([CH:68]([CH2:69][CH2:70][CH2:71][CH2:72][CH3:73])[O:74][C:75]([CH3:76])=[O:77])[cH:66][cH:67]2)[CH:57]([OH:61])[CH2:58][CH:59]1[Cl:60])=[O:78].[O:1]=[C:2]([O:3][CH:4]([CH3:5])[CH3:6])[N:7]=[N:8][C:9]([O:10][CH:11]([CH3:12])[CH3:13])=[O:14].[OH:34][C:35](=[O:36])[c:37]1[cH:38][cH:39][c:40]([N+:43]([O-:44])=[O:45])[cH:41][cH:42]1.[c:15]1([P:16]([c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[cH:29][cH:30][cH:31][cH:32][cH:33]1>>[O:34]=[C:35]([O:36][CH:57]1[CH:56]([c:62]2[cH:63][cH:64][c:65]([CH:68]([CH2:69][CH2:70][CH2:71][CH2:72][CH3:73])[O:74][C:75]([CH3:76])=[O:77])[cH:66][cH:67]2)[CH:55]([CH2:54][CH:53]=[CH:52][CH2:51][CH2:50][CH2:49][C:48]([O:47][CH3:46])=[O:78])[CH:59]([Cl:60])[CH2:58]1)[c:37]1[cH:38][cH:39][c:40]([N+:43]([O-:44])=[O:45])[cH:41][cH:42]1

Participants

6

Reactant 5

HCID 61084-Nitrobenzoic AcidHCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 75555Diisopropyl diazene-1,2-dicarboxylateHCID 178445051HCID 178445051, compound

Product 1

HCID 178445052HCID 178445052, compound

Sources & evidence

ORD record
ord-4aa292218ee24be58102df800cf1901a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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