Toluene → HCID 58931453, compound

HRID 309717Notes

Reaction equation

HRID 309717 reaction equation
[CH3:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[CH3:41][C:42]#[N:43].[F:24][c:25]1[cH:26][cH:27][c:28]([N:31]=[C:32]=[O:33])[cH:29][cH:30]1.[c:1]1(-[c:7]2[cH:8][c:9]3[c:10]([n:11][cH:12][n:13][c:14]3[O:15][c:16]3[cH:17][cH:18][c:19]([NH2:22])[cH:20][cH:21]3)[nH:23]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[cH:8][c:9]3[c:10]([n:11][cH:12][n:13][c:14]3[O:15][c:16]3[cH:17][cH:18][c:19]([NH:22][C:32]([NH:31][c:28]4[cH:27][cH:26][c:25]([F:24])[cH:30][cH:29]4)=[O:33])[cH:20][cH:21]3)[nH:23]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 6342AcetonitrileHCID 709554-Fluorophenyl isocyanateHCID 589311894-(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenylamine

Product 1

HCID 58931453HCID 58931453, compound

Sources & evidence

ORD record
ord-e8551872783145278bc1406d4e532bb1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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