Acetone → HCID 58110066, compound

HRID 91208Notes

Reaction equation

[CH3:49][C:50](=[O:51])[CH3:52].[CH:40]([N:41]([CH:42]([CH3:43])[CH3:44])[CH2:45][CH3:46])([CH3:47])[CH3:48].[Cl:1][CH2:2][CH2:3][CH2:4][CH2:5][CH:6]([c:7]1[cH:8][c:9]([F:18])[c:10]([O:13][C:14]([F:15])([F:16])[F:17])[cH:11][cH:12]1)[c:19]1[n:20][c:21]([NH:24][c:25]2[cH:26][c:27]([F:37])[c:28](-[n:31]3[n:32][c:33]([CH3:36])[n:34][cH:35]3)[cH:29][cH:30]2)[n:22][nH:23]1.[I-:39].[Na+:38]>>[CH2:2]1[CH2:3][CH2:4][CH2:5][CH:6]([c:7]2[cH:8][c:9]([F:18])[c:10]([O:13][C:14]([F:15])([F:16])[F:17])[cH:11][cH:12]2)[c:19]2[n:20][c:21]([NH:24][c:25]3[cH:26][c:27]([F:37])[c:28](-[n:31]4[n:32][c:33]([CH3:36])[n:34][cH:35]4)[cH:29][cH:30]3)[n:22][n:23]21

Participants

Reactant 5

HCID 180Acetone

HCID 923Sodium ion

HCID 30165Iodide Ion

HCID 81531Diisopropylethylamine

HCID 866499415-(5-chloro-1-(3-fluoro-4-(trifluoromethoxy)phenyl)pentyl)-N-(3-fluoro-4-(3-methyl-1H-1,2,4-triazol-1-yl)phenyl)-1H-1,2,4-triazol-3-amine

Product 1

HCID 58110066HCID 58110066, compound

Sources & evidence

ORD record: ord-d5de03f5d61943519ae2b0317fedc8fd
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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