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

HRID 682104
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HRID 682104 반응식
[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
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 177AcetaldehydeHCID 313Hydrochloric AcidHCID 887MethanolHCID 888Magnesium CationHCID 923Sodium IonHCID 1117Sulfate IonHCID 3283Diethyl EtherHCID 498716Cyano-borohydride
HCID 57979863
4-[({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)amino]tetrahydro-2H-pyran-4-carboxylic acid

생성물 1

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

출처 및 근거

ORD 기록
ord-eebb768c4e87448d816e67557506b21a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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