Toluene → HCID 13591680, compound

HRID 2349405Notes

Reaction equation

HRID 2349405 reaction equation
[CH3:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[Cl:1][c:2]1[c:3]([NH2:4])[cH:5][c:6]([Cl:19])[c:7]([CH:9]([c:10]2[cH:11][cH:12][c:13]([F:16])[cH:14][cH:15]2)[C:17]#[N:18])[cH:8]1.[F:20][c:21]1[c:22]([C:23](=[O:24])[N:25]=[C:26]=[O:27])[c:28]([F:32])[cH:29][cH:30][cH:31]1>>[Cl:1][c:2]1[c:3]([NH:4][C:26]([NH:25][C:23]([c:22]2[c:21]([F:20])[cH:31][cH:30][cH:29][c:28]2[F:32])=[O:24])=[O:27])[cH:5][c:6]([Cl:19])[c:7]([CH:9]([c:10]2[cH:11][cH:12][c:13]([F:16])[cH:14][cH:15]2)[C:17]#[N:18])[cH:8]1

Participants

4

Reactant 3

HCID 1140TolueneHCID 27333692,6-Difluorobenzoyl isocyanateHCID 13591679HCID 13591679, compound

Product 1

HCID 13591680HCID 13591680, compound

Sources & evidence

ORD record
ord-0d0cbca7713c4b099c0aa55bdaf04829
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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