Bicarbonate Ion → 3-{5-[2-Methoxy-5-(2-methoxy-ethoxy)-phenyl]-pyridin-2-yloxy}-azetidine-1-carboxylic acid pyridazin-3-ylamide

HRID 90156

Reaction equation

HRID 90156 reaction equation
[B:15]([O:16][CH:17]([CH3:18])[CH3:19])([O:20][CH:21]([CH3:22])[CH3:23])[O:24][CH:25]([CH3:26])[CH3:27].[BH:33]([OH:34])[OH:35].[Br:1][c:2]1[c:3]([O:13][CH3:14])[cH:4][cH:5][c:6]([O:8][CH2:9][CH2:10][O:11][CH3:12])[cH:7]1.[C:57](=[O:58])([OH:59])[O-:60].[CH2:28]([Li:29])[CH2:30][CH2:31][CH3:32].[CH2:62]1[O:63][CH2:64][CH2:65][CH2:66]1.[Cl:67][CH2:68][Cl:69].[Na+:61].[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[n:36]1[n:37][c:38]([NH:42][C:43](=[O:44])[N:45]2[CH2:46][CH:47]([O:49][c:50]3[n:51][cH:52][c:53]([I:56])[cH:54][cH:55]3)[CH2:48]2)[cH:39][cH:40][cH:41]1>>[c:2]1(-[c:53]2[cH:52][n:51][c:50]([O:49][CH:47]3[CH2:46][N:45]([C:43]([NH:42][c:38]4[n:37][n:36][cH:41][cH:40][cH:39]4)=[O:44])[CH2:48]3)[cH:55][cH:54]2)[c:3]([O:13][CH3:14])[cH:4][cH:5][c:6]([O:8][CH2:9][CH2:10][O:11][CH3:12])[cH:7]1

Participants

11

Reactant 10

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 21531Triisopropyl borateHCID 61668Boronic AcidHCID 580730982-Bromo-1-methoxy-4-(2-methoxy-ethoxy)-benzeneHCID 66710496US10918640, Example 14HCID 178418339Butyllithium

Product 1

HCID 442190563-{5-[2-Methoxy-5-(2-methoxy-ethoxy)-phenyl]-pyridin-2-yloxy}-azetidine-1-carboxylic acid pyridazin-3-ylamide

Sources & evidence

ORD record
ord-12f4c279d5fa4468b35fca2ae3a6634c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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