2-Nitrophenyl isocyanate → HCID 22049557, compound

HRID 680945Notes

Reaction equation

HRID 680945 reaction equation
[N:1](=[C:2]=[O:3])[c:4]1[c:5]([N+:10](=[O:11])[O-:12])[cH:6][cH:7][cH:8][cH:9]1.[NH2:13][CH:14]([CH2:15][CH2:16][N:17]1[CH2:18][CH2:19][CH:20]([c:23]2[cH:24][c:25]([NH:29][C:30]([CH:31]([CH3:32])[CH3:33])=[O:34])[cH:26][cH:27][cH:28]2)[CH2:21][CH2:22]1)[c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1>>[NH:1]([C:2](=[O:3])[NH:13][CH:14]([CH2:15][CH2:16][N:17]1[CH2:18][CH2:19][CH:20]([c:23]2[cH:24][c:25]([NH:29][C:30]([CH:31]([CH3:32])[CH3:33])=[O:34])[cH:26][cH:27][cH:28]2)[CH2:21][CH2:22]1)[c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)[c:4]1[c:5]([N+:10](=[O:11])[O-:12])[cH:6][cH:7][cH:8][cH:9]1

Participants

3

Reactant 2

HCID 768342-Nitrophenyl isocyanateHCID 22048665N-[3-[1-(3-amino-3-phenylpropyl)piperidin-4-yl]phenyl]-2-methylpropanamide

Product 1

HCID 22049557HCID 22049557, compound

Sources & evidence

ORD record
ord-9bba41d5ca454e909d939f596025a38e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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