Toluene → HCID 21190642, compound

HRID 2330676Notes

Reaction equation

HRID 2330676 reaction equation
[CH2:19]([O:20][CH:22]([O:21][CH2:26][CH3:27])[N:23]([CH3:24])[CH3:25])[CH3:28].[CH3:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[NH2:1][c:2]1[n:3][nH:4][c:5]2[n:6][cH:7][n:8][c:9]([NH:11][c:12]3[cH:13][c:14]([Cl:18])[cH:15][cH:16][cH:17]3)[c:10]12>>[N:1]([c:2]1[n:3][nH:4][c:5]2[n:6][cH:7][n:8][c:9]([NH:11][c:12]3[cH:13][c:14]([Cl:18])[cH:15][cH:16][cH:17]3)[c:10]12)=[CH:22][N:23]([CH3:24])[CH3:25]

Participants

4

Sources & evidence

ORD record
ord-40787fde46a44a7ebeebc71ff608beaa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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