HCID 66776532, 화합물 → 6-[4-[(9-Oxo-1,3,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-5-yl)methyl]piperazin-1-yl]pyridine-3-carboxylic acid

반응식

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

참가 물질

반응물 2

HCID 66776532HCID 66776532, 화합물

HCID 76760530Ethyl 6-[4-[(9-oxo-1,3,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-5-yl)methyl]piperazin-1-yl]pyridine-3-carboxylate

생성물 1

HCID 667744796-[4-[(9-Oxo-1,3,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-5-yl)methyl]piperazin-1-yl]pyridine-3-carboxylic acid

출처 및 근거

ORD 기록: ord-7c920bbb9b0f4378b0a8eaf2563d60ec
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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