Toluene → HCID 178424417, compound

HRID 113103Notes

Reaction equation

HRID 113103 reaction equation
[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[CH3:57][N:58]([CH3:59])[c:60]1[cH:61][cH:62][n:63][cH:64][cH:65]1.[Cl:1][c:2]1[cH:3][c:4]([CH2:28][OH:29])[c:5]([O:6][CH2:7][C:8](=[O:9])[N:10]2[CH:11]([CH3:25])[CH2:12][N:13]([CH2:17][c:18]3[cH:19][cH:20][c:21]([F:24])[cH:22][cH:23]3)[CH:14]([CH3:16])[CH2:15]2)[cH:26][cH:27]1.[c:37]1([CH3:49])[c:38]([S:43](=[O:44])(=[O:45])[N:46]=[C:47]=[O:48])[cH:39][cH:40][cH:41][cH:42]1>>[Cl:1][c:2]1[cH:3][c:4]([CH2:28][O:29][C:47]([NH:46][S:43]([c:38]2[c:37]([CH3:49])[cH:42][cH:41][cH:40][cH:39]2)(=[O:44])=[O:45])=[O:48])[c:5]([O:6][CH2:7][C:8](=[O:9])[N:10]2[CH:11]([CH3:25])[CH2:12][N:13]([CH2:17][c:18]3[cH:19][cH:20][c:21]([F:24])[cH:22][cH:23]3)[CH:14]([CH3:16])[CH2:15]2)[cH:26][cH:27]1

Participants

6

Reactant 5

HCID 1140TolueneHCID 8471TriethylamineHCID 142844-(Dimethylamino)pyridineHCID 2733313o-Toluenesulfonyl IsocyanateHCID 219734062-[4-Chloro-2-(hydroxymethyl)phenoxy]-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone

Product 1

HCID 178424417HCID 178424417, compound

Sources & evidence

ORD record
ord-375969a88e4c4cfa9b416af9ca5de3d8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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