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Water → (+/-)-N-(3-amino-propyl)-N-[1-(3-benzyl-4-oxo-3,4-dihydro-pteridin-2-yl)-2-methyl-propyl]-4-methyl-benzamide

HRID 673952
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HRID 673952 반응식
[C:11]([O:12][C:13](=[O:14])[NH:17][CH2:18][CH2:19][CH2:20][N:21]([C:22]([c:23]1[cH:24][cH:25][c:26]([CH3:29])[cH:27][cH:28]1)=[O:30])[CH:31]([CH:32]([CH3:33])[CH3:34])[c:35]1[n:36][c:37]2[n:38][cH:39][cH:40][n:41][c:42]2[c:43](=[O:52])[n:44]1[CH2:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)([CH3:15])([CH3:16])[CH3:53].[Cl:62][CH2:63][Cl:64].[F:54][C:55]([F:56])([F:57])[C:58]([OH:59])=[O:60].[OH2:61].[c:1]1([CH3:2])[c:3]([C:4]([NH2:5])=[O:6])[cH:7][cH:8][cH:9][cH:10]1>>[NH2:17][CH2:18][CH2:19][CH2:20][N:21]([C:22]([c:23]1[cH:24][cH:25][c:26]([CH3:29])[cH:27][cH:28]1)=[O:30])[CH:31]([CH:32]([CH3:33])[CH3:34])[c:35]1[n:36][c:37]2[n:38][cH:39][cH:40][n:41][c:42]2[c:43](=[O:52])[n:44]1[CH2:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1
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참가 물질

6

반응물 5

HCID 962WaterHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 107042-MethylbenzamideHCID 69314695{3-[[1-(3-Benzyl-4-oxo-3,4-dihydro-pteridin-2-yl)-2-methyl-propyl]-(4-methyl-benzoyl)-amino]-propyl}-carbamic acid tert-butyl ester

생성물 1

HCID 22172580
(+/-)-N-(3-amino-propyl)-N-[1-(3-benzyl-4-oxo-3,4-dihydro-pteridin-2-yl)-2-methyl-propyl]-4-methyl-benzamide

출처 및 근거

ORD 기록
ord-d5533c73f5384ae69284d3a83bc311b3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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