Toluene → Pyrinuron

Reaction equation

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

Participants

Reactant 4

HCID 1140Toluene

HCID 7622Tributylamine

HCID 310183-Pyridinemethanamine

HCID 230135p-Nitrophenylurethane

Product 1

HCID 40813Pyrinuron

Sources & evidence

ORD record: ord-34ad8b3a2bdd4613b69e5311164033b2
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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