Toluene → HCID 67203225, compound

HRID 1233390Notes

Reaction equation

HRID 1233390 reaction equation
[CH2:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[O:15][c:16]1[c:17]([C:35]#[N:36])[cH:18][c:19]2[c:20]([O:26][c:27]3[cH:28][c:29]([F:34])[c:30]([NH2:33])[cH:31][cH:32]3)[cH:21][cH:22][n:23][c:24]2[cH:25]1.[CH3:1][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1.[CH3:47][C:48]#[N:49].[F:37][c:38]1[cH:39][cH:40][c:41]([N:44]=[C:45]=[O:46])[cH:42][cH:43]1>>[CH2:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[O:15][c:16]1[c:17]([C:35]#[N:36])[cH:18][c:19]2[c:20]([O:26][c:27]3[cH:28][c:29]([F:34])[c:30]([NH:33][C:45]([NH:44][c:41]4[cH:40][cH:39][c:38]([F:37])[cH:43][cH:42]4)=[O:46])[cH:31][cH:32]3)[cH:21][cH:22][n:23][c:24]2[cH:25]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 6342AcetonitrileHCID 709554-Fluorophenyl isocyanateHCID 22936431HCID 22936431, compound

Product 1

HCID 67203225HCID 67203225, compound

Sources & evidence

ORD record
ord-e67bfd71c17644cb941d74eaa977f752
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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