Acetone → N-[(3RS)-1-(3-azabicyclo[3.2.2]non-3-yl)carbonylmethyl-2,3-dihydro-5-(2-fluorophenyl)-2-oxo-1H-1,4-benzodiazepin-3-yl]-N'-(3-formylphenyl)urea

HRID 2335505

반응식

HRID 2335505 반응식
[CH3:44][C:45](=[O:46])[CH3:47].[CH:1]12[CH2:2][N:3]([C:10](=[O:11])[CH2:12][N:13]3[C:14](=[O:43])[CH:15]([NH:31][C:32](=[O:33])[NH:34][c:35]4[cH:36][c:37]([CH2:41][OH:42])[cH:38][cH:39][cH:40]4)[N:16]=[C:17]([c:24]4[c:25]([F:30])[cH:26][cH:27][cH:28][cH:29]4)[c:18]4[c:19]3[cH:20][cH:21][cH:22][cH:23]4)[CH2:4][CH:5]([CH2:6][CH2:7]1)[CH2:8][CH2:9]2>>[CH:1]12[CH2:2][N:3]([C:10](=[O:11])[CH2:12][N:13]3[C:14](=[O:43])[CH:15]([NH:31][C:32](=[O:33])[NH:34][c:35]4[cH:36][c:37]([CH:41]=[O:42])[cH:38][cH:39][cH:40]4)[N:16]=[C:17]([c:24]4[c:25]([F:30])[cH:26][cH:27][cH:28][cH:29]4)[c:18]4[c:19]3[cH:20][cH:21][cH:22][cH:23]4)[CH2:4][CH:5]([CH2:6][CH2:7]1)[CH2:8][CH2:9]2

참가 물질

3

반응물 2

HCID 180AcetoneHCID 19081130N-[(3RS)-1-(3-azabicyclo[3.2.2]non-3-yl)carbonylmethyl-2,3-dihydro-5-(2-fluorophenyl)-2-oxo-1H-1,4-benzodiazepin-3-yl]-N'-(3-hydroxymethylphenyl)urea

생성물 1

HCID 19081120N-[(3RS)-1-(3-azabicyclo[3.2.2]non-3-yl)carbonylmethyl-2,3-dihydro-5-(2-fluorophenyl)-2-oxo-1H-1,4-benzodiazepin-3-yl]-N'-(3-formylphenyl)urea

출처 및 근거

ORD 기록
ord-b21afabc839548cc88ab52f79e1e4629
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

연결된 노트

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