Toluene → HCID 69416683, compound

HRID 2135223Notes

Reaction equation

HRID 2135223 reaction equation
[CH3:32][O:33][C:34]([c:35]1[cH:36][cH:37][c:38]([OH:41])[cH:39][cH:40]1)=[O:42].[CH3:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1.[O:62]=[C:63]([O:64][CH:65]([CH3:66])[CH3:67])[N:68]=[N:69][C:70]([O:71][CH:72]([CH3:73])[CH3:74])=[O:75].[c:1]1([CH:7]([CH2:8][N:9]([CH2:10][c:11]2[c:12]([Cl:21])[c:13]([C:17]([F:18])([F:19])[F:20])[cH:14][cH:15][cH:16]2)[CH2:22][CH2:23][CH2:24][OH:25])[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[c:43]1([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[cH:57][cH:58][cH:59][cH:60][cH:61]1>>[c:1]1([CH:7]([CH2:8][N:9]([CH2:10][c:11]2[c:12]([Cl:21])[c:13]([C:17]([F:18])([F:19])[F:20])[cH:14][cH:15][cH:16]2)[CH2:22][CH2:23][CH2:24][O:25][c:38]2[cH:37][cH:36][c:35]([C:34]([O:33][CH3:32])=[O:42])[cH:40][cH:39]2)[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

6

Reactant 5

HCID 1140TolueneHCID 7456MethylparabenHCID 11776TriphenylphosphineHCID 75555Diisopropyl diazene-1,2-dicarboxylateHCID 577571173-[(2-Chloro-3-trifluoromethyl-benzyl)-diphenylethyl-amino]-propan-1-ol

Product 1

HCID 69416683HCID 69416683, compound

Sources & evidence

ORD record
ord-fced76c2e6fe4866925b15e1616d0c18
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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