1,4-Dioxane → HCID 16113992, compound

HRID 175940Notes

Reaction equation

HRID 175940 reaction equation
[CH2:40]1[O:41][CH2:42][CH2:43][O:44][CH2:45]1.[CH:32]1([N:37]=[C:38]=[O:39])[CH2:33][CH2:34][CH2:35][CH2:36]1.[F:1][c:2]1[c:3]([C:28]([F:29])([F:30])[F:31])[cH:4][c:5]([C:8]([CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)([NH2:16])[c:17]2[cH:18][c:19]([F:27])[cH:20][c:21]([C:23]([F:24])([F:25])[F:26])[cH:22]2)[cH:6][cH:7]1>>[F:1][c:2]1[c:3]([C:28]([F:29])([F:30])[F:31])[cH:4][c:5]([C:8]([CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)([NH:16][C:38]([NH:37][CH:32]2[CH2:33][CH2:34][CH2:35][CH2:36]2)=[O:39])[c:17]2[cH:18][c:19]([F:27])[cH:20][c:21]([C:23]([F:24])([F:25])[F:26])[cH:22]2)[cH:6][cH:7]1

Participants

4

Reactant 3

HCID 312751,4-DioxaneHCID 643500Cyclopentyl IsocyanateHCID 248285091-(4-Fluoro-3-(trifluoromethyl)phenyl)-1-(3-fluoro-5-(trifluoromethyl)phenyl)-2-phenylethanamine

Product 1

HCID 16113992HCID 16113992, compound

Sources & evidence

ORD record
ord-f1dae6d33df447608f9b3c10a6fcc870
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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