Toluene → HCID 22337674, compound

HRID 686717Notes

Reaction equation

HRID 686717 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH2:9][NH2:10])[cH:11][cH:12]1.[CH3:24][n:25]1[n:26][cH:27][c:28]2[c:29]([NH2:34])[cH:30][cH:31][cH:32][c:33]12.[CH3:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[CH:17]([NH:18][CH:19]([CH3:20])[CH3:21])([CH3:22])[CH3:23].[Cl:13][C:14]([Cl:15])=[O:16]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH2:9][NH:10][C:14](=[O:16])[NH:34][c:29]2[c:28]3[cH:27][n:26][n:25]([CH3:24])[c:33]3[cH:32][cH:31][cH:30]2)[cH:11][cH:12]1

Participants

6

Reactant 5

HCID 1140TolueneHCID 6371PhosgeneHCID 7912DiisopropylamineHCID 1538381H-Indazol-4-amine, 1-methyl-HCID 27356554-tert-Butylbenzylamine

Product 1

HCID 22337674HCID 22337674, compound

Sources & evidence

ORD record
ord-21e961c83d7f4c27b0d457770a48c81e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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