Toluene → HCID 86601808, compound

HRID 298097Notes

Reaction equation

HRID 298097 reaction equation
[CH3:1][C:2]1([CH3:26])[C:3](=[O:25])[NH:4][c:5]2[cH:6][c:7]([N+:22](=[O:23])[O-:24])[c:8]([NH:11][C:12]([c:13]3[cH:14][cH:15][c:16]([O:19][CH3:20])[cH:17][cH:18]3)=[O:21])[cH:9][c:10]21.[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[Cl:27][C:28](=[O:29])[O:30][c:31]1[cH:32][cH:33][c:34]([N+:37](=[O:38])[O-:39])[cH:35][cH:36]1>>[CH3:1][C:2]1([CH3:26])[C:3](=[O:25])[N:4]([C:28](=[O:29])[O:30][c:31]2[cH:32][cH:33][c:34]([N+:37](=[O:38])[O-:39])[cH:35][cH:36]2)[c:5]2[cH:6][c:7]([N+:22](=[O:23])[O-:24])[c:8]([NH:11][C:12]([c:13]3[cH:14][cH:15][c:16]([O:19][CH3:20])[cH:17][cH:18]3)=[O:21])[cH:9][c:10]21

Participants

4

Reactant 3

HCID 1140TolueneHCID 821294-Nitrophenyl chloroformateHCID 23092680HCID 23092680, compound

Product 1

HCID 86601808HCID 86601808, compound

Sources & evidence

ORD record
ord-9de688e3bc9648baa211e370b3dd30df
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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