Toluene → HCID 178421673, compound

HRID 2330741Notes

Reaction equation

HRID 2330741 reaction equation
[CH2:34]([Al+:35][CH2:36][CH:37]([CH3:38])[CH3:39])[CH:40]([CH3:41])[CH3:42].[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[Cl:1][c:2]1[c:3]([C:8]2=[N:9][C:10]3=[C:23]([CH3:24])[NH:22][N:21]([CH2:25][CH:26]=[CH2:27])[C:11]3=[N:12][c:13]3[c:14]2[cH:15][c:16]([CH3:20])[c:17]([CH3:19])[cH:18]3)[cH:4][cH:5][cH:6][cH:7]1.[H-:33].[Ni:50]([Cl:51])[Cl:52].[O:28]1[CH2:29][CH2:30][CH2:31][CH2:32]1.[c:53]1([P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[CH2:61][CH2:62][CH2:63][P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[cH:77][cH:78][cH:79][cH:80][cH:81]1>>[Cl:1][c:2]1[c:3]([C:8]2=[N:9][C:10]3=[C:23]([CH3:24])[NH:22][NH:21][C:11]3=[N:12][c:13]3[c:14]2[cH:15][c:16]([CH3:20])[c:17]([CH3:19])[cH:18]3)[cH:4][cH:5][cH:6][cH:7]1

Participants

8

Reactant 7

HCID 1140TolueneHCID 8028TetrahydrofuranHCID 24385Nickel DichlorideHCID 812191,3-Bis(diphenylphosphino)propaneHCID 166653HydrideHCID 16686348Bis(2-methylpropyl)alumanyliumHCID 178456639HCID 178456639, compound

Product 1

HCID 178421673HCID 178421673, compound

Sources & evidence

ORD record
ord-3784f5812ad7466f857e7ecd3f844bfe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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