1,4-Dioxane → HCID 58677553, compound

HRID 689658Notes

Reaction equation

HRID 689658 reaction equation
[CH:27]([CH3:28])([CH3:29])[N:30]=[C:31]=[O:32].[NH2:1][c:2]1[cH:3][cH:4][c:5]([CH3:26])[c:6]([C:8](=[O:9])[c:10]2[c:11]([Cl:25])[cH:12][c:13]([NH:16][c:17]3[c:18]([F:24])[cH:19][c:20]([F:23])[cH:21][cH:22]3)[cH:14][cH:15]2)[cH:7]1.[O:33]1[CH2:34][CH2:35][O:36][CH2:37][CH2:38]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([CH3:26])[c:6]([C:8](=[O:9])[c:10]2[c:11]([Cl:25])[cH:12][c:13]([NH:16][c:17]3[c:18]([F:24])[cH:19][c:20]([F:23])[cH:21][cH:22]3)[cH:14][cH:15]2)[cH:7]1)[C:31]([NH:30][CH:27]([CH3:28])[CH3:29])=[O:32]

Participants

4

Reactant 3

HCID 312751,4-DioxaneHCID 61277Isopropyl isocyanateHCID 11538012(5-Amino-2-methyl-phenyl)-[2-chloro-4-(2,4-difluoro-phenylamino)-phenyl]-methanone

Product 1

HCID 58677553HCID 58677553, compound

Sources & evidence

ORD record
ord-a7cf083f4ecb4531987429b05850b914
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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