O-Xylene → Pyrinuron

Reaction equation

[CH3:23][N:24]([CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36])[CH3:37].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([NH:10][C:11]([O:12][CH3:13])=[O:14])[cH:8][cH:9]1.[NH2:15][CH2:16][c:17]1[cH:18][n:19][cH:20][cH:21][cH:22]1.[c:38]1([CH3:39])[c:40]([CH3:41])[cH:42][cH:43][cH:44][cH:45]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([NH:10][C:11](=[O:14])[NH:15][CH2:16][c:17]2[cH:18][n:19][cH:20][cH:21][cH:22]2)[cH:8][cH:9]1

Participants

Reactant 4

HCID 7237O-Xylene

HCID 8168Lauryldimethylamine

HCID 310183-Pyridinemethanamine

HCID 74752Carbamic acid, N-(4-nitrophenyl)-, methyl ester

Product 1

HCID 40813Pyrinuron

Sources & evidence

ORD record: ord-5ca7f71925424254b431b58dfcc4bcc5
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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