Ethanol → HCID 178451795, compound

HRID 292597Notes

Reaction equation

HRID 292597 reaction equation
[C:33]([CH3:34])([CH3:35])([CH3:36])[O:37][C:38](=[O:39])[N:40]1[CH2:41][CH2:42][C:43]([B:46]2[O:47][C:48]([CH3:49])([CH3:50])[C:51]([CH3:52])([CH3:53])[O:54]2)=[CH:44][CH2:45]1.[CH3:61][O:62][CH2:63][CH2:64][O:65][CH3:66].[CH3:68][CH2:69][OH:70].[Cl:1][c:2]1[n:3][c:4]([C:17]2=[CH:18][CH2:19][N:20]([c:23]3[n:24][cH:25][cH:26][cH:27][c:28]3[C:29]([F:30])([F:31])[F:32])[CH2:21][CH2:22]2)[nH:5][c:6]1-[c:7]1[cH:8][cH:9][c:10]([C:13]([F:14])([F:15])[F:16])[cH:11][cH:12]1.[Na+:55].[Na+:56].[O-:57][C:58](=[O:59])[O-:60].[OH2:67]>>[c:2]1([C:43]2=[CH:44][CH2:45][N:40]([C:38]([O:37][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:39])[CH2:41][CH2:42]2)[n:3][c:4]([C:17]2=[CH:18][CH2:19][N:20]([c:23]3[n:24][cH:25][cH:26][cH:27][c:28]3[C:29]([F:30])([F:31])[F:32])[CH2:21][CH2:22]2)[nH:5][c:6]1-[c:7]1[cH:8][cH:9][c:10]([C:13]([F:14])([F:15])[F:16])[cH:11][cH:12]1

Participants

8

Reactant 7

HCID 702EthanolHCID 923Sodium ion2×HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 4642098Tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine-1-carboxylateHCID 178506119HCID 178506119, compound

Product 1

HCID 178451795HCID 178451795, compound

Sources & evidence

ORD record
ord-1de8229da8a44d8b8393ddd56f155c44
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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