Ethanol → HCID 68456030, compound

HRID 1568066Notes

Reaction equation

HRID 1568066 reaction equation
[C:37](=[O:38])([O-:39])[O-:40].[CH2:43]([OH:44])[CH3:45].[CH3:25][c:26]1[c:27]([B:34]([OH:35])[OH:36])[c:28]([CH3:33])[cH:29][c:30]([CH3:32])[cH:31]1.[Cl:1][c:2]1[n:3][n:4][cH:5][c:6]2[cH:7][c:8](-[c:12]3[cH:13][c:14]([C:15](=[O:16])[NH:17][CH:18]4[CH2:19][CH2:20]4)[cH:21][cH:22][c:23]3[CH3:24])[cH:9][cH:10][c:11]12.[K+:41].[K+:42].[c:46]1([CH3:47])[cH:48][cH:49][cH:50][cH:51][cH:52]1>>[c:2]1(-[c:27]2[c:26]([CH3:25])[cH:31][c:30]([CH3:32])[cH:29][c:28]2[CH3:33])[n:3][n:4][cH:5][c:6]2[cH:7][c:8](-[c:12]3[cH:13][c:14]([C:15](=[O:16])[NH:17][CH:18]4[CH2:19][CH2:20]4)[cH:21][cH:22][c:23]3[CH3:24])[cH:9][cH:10][c:11]12

Participants

7

Reactant 6

HCID 702EthanolHCID 813Potassium Cation2×HCID 1140TolueneHCID 19660Carbonate IonHCID 2921842,4,6-Trimethylbenzeneboronic acidHCID 118483123-(1-chlorophthalazin-6-yl)-N-cyclopropyl-4-methylbenzamide

Product 1

HCID 68456030HCID 68456030, compound

Sources & evidence

ORD record
ord-35c34a607cf3418ead3a4fe8dbad2521
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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