Toluene → HCID 178512405, compound

HRID 1211334Notes

Reaction equation

HRID 1211334 reaction equation
[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[CH:34]([N:35]([CH:36]([CH3:37])[CH3:38])[CH2:39][CH3:40])([CH3:41])[CH3:42].[F:19][c:20]1[cH:21][cH:22][c:23]([CH2:26][C:27](=[O:28])[NH:29][C:30]([S:31][CH3:32])=[NH:33])[cH:24][cH:25]1.[F:1][c:2]1[cH:3][c:4]([NH2:18])[cH:5][cH:6][c:7]1[O:8][c:9]1[n:10][cH:11][n:12][n:13]2[c:14]1[cH:15][cH:16][cH:17]2>>[F:1][c:2]1[cH:3][c:4]([NH:18][C:30]([NH:29][C:27]([CH2:26][c:23]2[cH:22][cH:21][c:20]([F:19])[cH:25][cH:24]2)=[O:28])=[NH:33])[cH:5][cH:6][c:7]1[O:8][c:9]1[n:10][cH:11][n:12][n:13]2[c:14]1[cH:15][cH:16][cH:17]2

Participants

5

Reactant 4

HCID 1140TolueneHCID 81531DiisopropylethylamineHCID 210816213-Fluoro-4-(pyrrolo[2,1-f][1,2,4]triazin-4-yloxy)benzenamineHCID 140496304methyl N-[2-(4-fluorophenyl)acetyl]carbamimidothioate

Product 1

HCID 178512405HCID 178512405, compound

Sources & evidence

ORD record
ord-8304237c05824db8b5b10fde736c4f38
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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