Toluene → HCID 22600036, compound

HRID 298618Notes

Reaction equation

HRID 298618 reaction equation
[CH2:1]([CH3:2])[O:3][CH2:4][CH2:5][NH:6][c:7]1[cH:8][c:9]2[c:14]([cH:15][cH:16]1)[C:13]([CH3:17])([CH3:18])[CH2:12][CH2:11][C:10]2([CH3:19])[CH3:20].[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[Cl:21][C:22]([Cl:23])=[O:24].[NH2:25][c:26]1[cH:27][cH:28][c:29]([C:30](=[O:31])[O:32][CH3:33])[cH:34][cH:35]1>>[CH2:1]([CH3:2])[O:3][CH2:4][CH2:5][N:6]([c:7]1[cH:8][c:9]2[c:14]([cH:15][cH:16]1)[C:13]([CH3:17])([CH3:18])[CH2:12][CH2:11][C:10]2([CH3:19])[CH3:20])[C:22](=[O:24])[NH:25][c:26]1[cH:27][cH:28][c:29]([C:30](=[O:31])[O:32][CH3:33])[cH:34][cH:35]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 6371PhosgeneHCID 12082Methyl 4-aminobenzoateHCID 22600030HCID 22600030, compound

Product 1

HCID 22600036HCID 22600036, compound

Sources & evidence

ORD record
ord-c98948c5c876493d9eaf96a15e476172
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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