Ethanol → HCID 23024731, compound

HRID 1209597Notes

Reaction equation

HRID 1209597 reaction equation
[CH3:1][c:2]1[c:3]([CH2:13][O:14][c:15]2[cH:16][cH:17][c:18]([CH2:19][n:20]3[n:21][c:22]([O:32][S:33]([C:34]([F:35])([F:36])[F:37])(=[O:38])=[O:39])[c:23]([CH2:25][CH2:26][C:27](=[O:28])[O:29][CH2:30][CH3:31])[cH:24]3)[cH:40][cH:41]2)[n:4][c:5](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[o:6]1.[CH3:58][CH2:59][OH:60].[CH3:61][CH2:62][O:63][C:64](=[O:65])[CH3:66].[CH3:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1.[Na+:52].[Na+:53].[O-:54][C:55](=[O:56])[O-:57].[OH:42][B:43]([OH:44])[c:45]1[cH:46][cH:47][c:48]([F:49])[cH:50][cH:51]1>>[CH3:1][c:2]1[c:3]([CH2:13][O:14][c:15]2[cH:16][cH:17][c:18]([CH2:19][n:20]3[n:21][c:22](-[c:45]4[cH:46][cH:47][c:48]([F:49])[cH:50][cH:51]4)[c:23]([CH2:25][CH2:26][C:27](=[O:28])[O:29][CH2:30][CH3:31])[cH:24]3)[cH:40][cH:41]2)[n:4][c:5](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[o:6]1

Participants

8

Reactant 7

HCID 702EthanolHCID 923Sodium ion2×HCID 1140TolueneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 2856454-Fluorophenylboronic acidHCID 86760425HCID 86760425, compound

Product 1

HCID 23024731HCID 23024731, compound

Sources & evidence

ORD record
ord-ec52608cbb634d398876d0f9a05b6ad1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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