1,4-Dioxane → HCID 58677535, compound

HRID 2131951Notes

Reaction equation

HRID 2131951 reaction equation
[N:27](=[C:28]=[O:29])[c:30]1[c:31]([C:32](=[O:33])[O:34][CH3:35])[cH:36][cH:37][cH:38][cH:39]1.[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:40]1[CH2:41][CH2:42][O:43][CH2:44][CH2:45]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:28]([NH:27][c:30]1[c:31]([C:32](=[O:33])[O:34][CH3:35])[cH:36][cH:37][cH:38][cH:39]1)=[O:29]

Participants

4

Reactant 3

HCID 312751,4-DioxaneHCID 519494Methyl 2-isocyanatobenzoateHCID 11538012(5-Amino-2-methyl-phenyl)-[2-chloro-4-(2,4-difluoro-phenylamino)-phenyl]-methanone

Product 1

HCID 58677535HCID 58677535, compound

Sources & evidence

ORD record
ord-bc90301efc984d9bb6f10495eed1cfc3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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