Toluene → HCID 178504743, compound

HRID 2148542Notes

Reaction equation

HRID 2148542 reaction equation
[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([CH2:11][CH2:12][CH2:13][N:14]2[CH2:15][CH:16]([CH2:20][N:21]3[CH2:22][CH2:23][NH:24][CH2:25][CH2:26]3)[CH2:17][CH2:18][CH2:19]2)[cH:9][cH:10]1.[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[Cl:27][c:28]1[cH:29][c:30]([N:35]=[C:36]=[O:37])[cH:31][cH:32][c:33]1[F:34]>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([CH2:11][CH2:12][CH2:13][N:14]2[CH2:15][CH:16]([CH2:20][N:21]3[CH2:22][CH2:23][N:24]([C:36]([NH:35][c:30]4[cH:29][c:28]([Cl:27])[c:33]([F:34])[cH:32][cH:31]4)=[O:37])[CH2:25][CH2:26]3)[CH2:17][CH2:18][CH2:19]2)[cH:9][cH:10]1

Participants

4

Reactant 3

HCID 1140TolueneHCID 27346323-Chloro-4-fluorophenyl isocyanateHCID 672675691-[[1-[3-(4-Methylsulfonylphenyl)propyl]piperidin-3-yl]methyl]piperazine

Product 1

HCID 178504743HCID 178504743, compound

Sources & evidence

ORD record
ord-b1ca9f17145d4c7eadd3e83d5d9205e6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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