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Water → HCID 59833503, 화합물

HRID 692292
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HRID 692292 반응식
[B-:1]([F:2])([F:3])([F:4])[F:5].[CH3:66][C:67]([N:68]([CH3:69])[CH3:70])=[O:71].[CH:23]([N:24]([CH:25]([CH3:26])[CH3:27])[CH2:28][CH3:29])([CH3:30])[CH3:31].[F:32][c:33]1[cH:34][cH:35][c:36]([N:39]2[CH2:40][CH2:41][NH:42][CH2:43][CH2:44]2)[cH:37][cH:38]1.[O:45]=[c:46]1[nH:47][n:48][c:49]([CH2:56][c:57]2[cH:58][c:59]([C:60](=[O:61])[OH:62])[cH:63][cH:64][cH:65]2)[c:50]2[cH:51][cH:52][cH:53][cH:54][c:55]12.[OH2:72].[n:6]1([O:7][C:8]([N:9]([CH3:10])[CH3:11])=[N+:12]([CH3:13])[CH3:14])[c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]2[n:21][n:22]1>>[F:32][c:33]1[cH:34][cH:35][c:36]([N:39]2[CH2:40][CH2:41][N:42]([C:60]([c:59]3[cH:58][c:57]([CH2:56][c:49]4[n:48][nH:47][c:46](=[O:45])[c:55]5[c:50]4[cH:51][cH:52][cH:53][cH:54]5)[cH:65][cH:64][cH:63]3)=[O:61])[CH2:43][CH2:44]2)[cH:37][cH:38]1
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HCID 962WaterHCID 26255TetrafluoroborateHCID 31374DimethylacetamideHCID 752601-(4-Fluorophenyl)piperazineHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 251319063-((4-Oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoic acid

생성물 1

HCID 59833503HCID 59833503, 화합물

출처 및 근거

ORD 기록
ord-51d9bcdb319d4b379b926c9242fa4af9
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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