Ethanol → HCID 46847594, compound

HRID 1209963Notes

Reaction equation

HRID 1209963 reaction equation
[CH3:1][C:2]1([CH3:3])[C:4]([CH3:5])([CH3:6])[O:7][B:8]([c:9]2[cH:10][cH:11][c:12]([C:13](=[O:14])[N:15]3[CH2:16][CH:17]([c:20]4[cH:21][n:22][cH:23][cH:24][cH:25]4)[CH2:18][CH2:19]3)[cH:26][cH:27]2)[O:28]1.[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[CH3:53][CH2:54][OH:55].[Cl:29][c:30]1[n:31][cH:32][c:33]([C:36]([F:37])([F:38])[F:39])[cH:34][n:35]1.[Na+:40].[Na+:41].[O-:42][C:43](=[O:44])[O-:45]>>[c:9]1(-[c:30]2[n:31][cH:32][c:33]([C:36]([F:37])([F:38])[F:39])[cH:34][n:35]2)[cH:10][cH:11][c:12]([C:13](=[O:14])[N:15]2[CH2:16][CH:17]([c:20]3[cH:21][n:22][cH:23][cH:24][cH:25]3)[CH2:18][CH2:19]2)[cH:26][cH:27]1

Participants

7

Reactant 6

HCID 702EthanolHCID 923Sodium ion2×HCID 1140TolueneHCID 19660Carbonate IonHCID 133170192-Chloro-5-(trifluoromethyl)pyrimidineHCID 58442982HCID 58442982, compound

Product 1

HCID 46847594HCID 46847594, compound

Sources & evidence

ORD record
ord-ad4823a3b5df48f3a9a5cc8c644216b6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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