1-Isocyanato-2-(methylsulfanyl)benzene → HCID 22049553, compound

HRID 105181

Reaction equation

HRID 105181 reaction equation
[N:1](=[C:2]=[O:3])[c:4]1[c:5]([S:10][CH3:11])[cH:6][cH:7][cH:8][cH:9]1.[NH2:12][CH:13]([CH2:14][CH2:15][N:16]1[CH2:17][CH2:18][CH:19]([c:22]2[cH:23][c:24]([NH:28][C:29]([CH:30]([CH3:31])[CH3:32])=[O:33])[cH:25][cH:26][cH:27]2)[CH2:20][CH2:21]1)[c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1>>[NH:1]([C:2](=[O:3])[NH:12][CH:13]([CH2:14][CH2:15][N:16]1[CH2:17][CH2:18][CH:19]([c:22]2[cH:23][c:24]([NH:28][C:29]([CH:30]([CH3:31])[CH3:32])=[O:33])[cH:25][cH:26][cH:27]2)[CH2:20][CH2:21]1)[c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)[c:4]1[c:5]([S:10][CH3:11])[cH:6][cH:7][cH:8][cH:9]1

Participants

3

Reactant 2

HCID 27369891-Isocyanato-2-(methylsulfanyl)benzeneHCID 22048665N-[3-[1-(3-amino-3-phenylpropyl)piperidin-4-yl]phenyl]-2-methylpropanamide

Product 1

HCID 22049553HCID 22049553, compound

Sources & evidence

ORD record
ord-260eb95384644f6ba5e49d7cba9b2477
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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