Acetaldehyde → 4-[({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)(ethyl)amino]tetrahydro-2H-pyran-4-carboxylic acid

HRID 682104Notes

Reaction equation

HRID 682104 reaction equation
[C:43]([BH3-:44])#[N:45].[CH3:47][CH2:48][O:49][CH2:50][CH3:51].[CH3:52][OH:53].[CH:34]([CH3:35])=[O:36].[Cl:2][c:3]1[c:4]([F:33])[c:5]([NH:9][c:10]2[n:11][cH:12][n:13][c:14]3[cH:15][c:16]([O:31][CH3:32])[c:17]([CH2:20][NH:21][C:22]4([C:28](=[O:29])[OH:30])[CH2:23][CH2:24][O:25][CH2:26][CH2:27]4)[cH:18][c:19]23)[cH:6][cH:7][cH:8]1.[ClH:1].[Mg+2:37].[Na+:46].[O-:38][S:39](=[O:40])(=[O:41])[O-:42]>>[Cl:2][c:3]1[c:4]([F:33])[c:5]([NH:9][c:10]2[n:11][cH:12][n:13][c:14]3[cH:15][c:16]([O:31][CH3:32])[c:17]([CH2:20][N:21]([C:22]4([C:28](=[O:29])[OH:30])[CH2:23][CH2:24][O:25][CH2:26][CH2:27]4)[CH2:34][CH3:35])[cH:18][c:19]23)[cH:6][cH:7][cH:8]1

Participants

10

Reactant 9

HCID 177AcetaldehydeHCID 313Hydrochloric AcidHCID 887MethanolHCID 888Magnesium CationHCID 923Sodium ionHCID 1117Sulfate IonHCID 3283Diethyl EtherHCID 498716Cyano-borohydrideHCID 579798634-[({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)amino]tetrahydro-2H-pyran-4-carboxylic acid

Product 1

HCID 579798524-[({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)(ethyl)amino]tetrahydro-2H-pyran-4-carboxylic acid

Sources & evidence

ORD record
ord-eebb768c4e87448d816e67557506b21a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…