2-Methylphenyl isothiocyanate → HCID 20722998, compound

HRID 1129972Notes

Reaction equation

HRID 1129972 reaction equation
[N:1](=[C:2]=[S:3])[c:4]1[c:5]([CH3:10])[cH:6][cH:7][cH:8][cH:9]1.[NH2:11][CH:12]([CH2:13][CH2:14][N:15]1[CH2:16][CH2:17][CH:18]([c:21]2[cH:22][c:23]([NH:27][C:28]([CH:29]([CH3:30])[CH3:31])=[O:32])[cH:24][cH:25][cH:26]2)[CH2:19][CH2:20]1)[c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1>>[NH:1]([C:2](=[S:3])[NH:11][CH:12]([CH2:13][CH2:14][N:15]1[CH2:16][CH2:17][CH:18]([c:21]2[cH:22][c:23]([NH:27][C:28]([CH:29]([CH3:30])[CH3:31])=[O:32])[cH:24][cH:25][cH:26]2)[CH2:19][CH2:20]1)[c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)[c:4]1[c:5]([CH3:10])[cH:6][cH:7][cH:8][cH:9]1

Participants

3

Reactant 2

HCID 691952-Methylphenyl isothiocyanateHCID 22048665N-[3-[1-(3-amino-3-phenylpropyl)piperidin-4-yl]phenyl]-2-methylpropanamide

Product 1

HCID 20722998HCID 20722998, compound

Sources & evidence

ORD record
ord-9a798715eeec4dbc8f342d4b0942346c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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