Ethanol → HCID 66753192, compound

HRID 1118618Notes

Reaction equation

HRID 1118618 reaction equation
[C:29](#[N:30])[c:31]1[cH:32][cH:33][c:34]([B:37]([OH:38])[OH:39])[cH:35][cH:36]1.[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[CH3:53][CH2:54][OH:55].[Cl:1][c:2]1[cH:3][n:4]2[c:5]([n:6][c:7]([CH:12]=[CH:13][c:14]3[c:15]([O:22][CH2:23][C:24]([CH3:25])([CH3:26])[CH3:27])[c:16]([O:20][CH3:21])[cH:17][cH:18][cH:19]3)[c:8]([I:11])[c:9]2=[O:10])[s:28]1.[Na+:40].[Na+:41].[O-:42][C:43](=[O:44])[O-:45].[OH2:56]>>[Cl:1][c:2]1[cH:3][n:4]2[c:5]([n:6][c:7]([CH:12]=[CH:13][c:14]3[c:15]([O:22][CH2:23][C:24]([CH3:25])([CH3:26])[CH3:27])[c:16]([O:20][CH3:21])[cH:17][cH:18][cH:19]3)[c:8](-[c:34]3[cH:33][cH:32][c:31]([C:29]#[N:30])[cH:36][cH:35]3)[c:9]2=[O:10])[s:28]1

Participants

8

Reactant 7

HCID 702EthanolHCID 923Sodium ion2×HCID 962WaterHCID 1140TolueneHCID 19660Carbonate IonHCID 27343264-Cyanophenylboronic acidHCID 66753262HCID 66753262, compound

Product 1

HCID 66753192HCID 66753192, compound

Sources & evidence

ORD record
ord-c84137e1246d48639f671919f834fbb8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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