Dichloromethane → 4-[(4-Amino-1-piperidinyl)methyl]-3-chloro-4,5-dihydro-7H-pyrrolo[3,2,1-de]-1,5-naphthyridin-7-one

반응식

[CH3:1][C:2]([N:5]([C:3](=[O:4])[O-:6])[CH:9]1[CH2:10][CH2:11][N:12]([CH2:15][CH:16]2[CH2:17][n:18]3[c:19]4[c:20]2[c:21]([Cl:29])[cH:22][n:23][c:24]4[cH:25][cH:26][c:27]3=[O:28])[CH2:13][CH2:14]1)([CH3:7])[CH3:8].[Cl:37][CH2:38][Cl:39].[OH:30][C:31]([C:32]([F:33])([F:34])[F:35])=[O:36]>>[NH2:5][CH:9]1[CH2:10][CH2:11][N:12]([CH2:15][CH:16]2[CH2:17][n:18]3[c:19]4[c:20]2[c:21]([Cl:29])[cH:22][n:23][c:24]4[cH:25][cH:26][c:27]3=[O:28])[CH2:13][CH2:14]1

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 866305791,1-dimethylethyl{1-[(3-chloro-7-oxo-4,5-dihydro-7H-pyrrolo[3,2,1-de]-1,5-naphthyridin-4-yl)methyl]-4-piperidinyl}carbamate

생성물 1

HCID 577074754-[(4-Amino-1-piperidinyl)methyl]-3-chloro-4,5-dihydro-7H-pyrrolo[3,2,1-de]-1,5-naphthyridin-7-one

출처 및 근거

ORD 기록: ord-e04190f59c884aa59f9f2c1c2590c833
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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