Toluene → HCID 70055114, compound

HRID 171034Notes

Reaction equation

HRID 171034 reaction equation
[CH3:1][c:2]1[c:3]([O:14][CH2:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[cH:4][cH:5][c:6]2[c:7](=[O:13])[cH:8][c:9]([SH:12])[o:10][c:11]12.[CH3:34][c:35]1[cH:36][cH:37][c:38]([S:39]([OH:40])(=[O:41])=[O:42])[cH:43][cH:44]1.[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[n:22]1[c:23]([N:28]2[CH2:29][CH2:30][NH:31][CH2:32][CH2:33]2)[cH:24][cH:25][cH:26][cH:27]1>>[CH3:1][c:2]1[c:3]([O:14][CH2:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[cH:4][cH:5][c:6]2[c:7](=[O:13])[cH:8][c:9]([N:31]3[CH2:30][CH2:29][N:28]([c:23]4[n:22][cH:27][cH:26][cH:25][cH:24]4)[CH2:33][CH2:32]3)[o:10][c:11]12

Participants

5

Reactant 4

HCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 944591-(2-Pyridyl)piperazineHCID 21460041HCID 21460041, compound

Product 1

HCID 70055114HCID 70055114, compound

Sources & evidence

ORD record
ord-5ae0e39b06684c66b9b556f4eeaa7ab8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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