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Hydrochloric Acid → HCID 66875646, 화합물

HRID 1120764
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HRID 1120764 반응식
[CH2:1]([OH:2])[CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][OH:10].[CH2:71]([c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1)[O:78][C:79]([CH2:80][CH:81]([CH2:82][N:83]([CH3:84])[CH3:85])[NH2:86])=[O:87].[ClH:69].[ClH:70].[F:11][c:12]1[cH:13][cH:14][c:15]([C:16]([Br:17])([F:18])[F:19])[c:20]([F:21])[c:22]1[F:23].[F:24][c:25]1[c:26]([F:45])[c:27]([F:44])[c:28]([C:29]([O:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][OH:39])([F:40])[F:41])[cH:42][cH:43]1.[F:46][c:47]1[cH:48][cH:49][c:50]([C:51]([F:52])([F:53])[O:54][CH2:55][CH2:56][CH2:57][CH2:58][CH2:59][CH2:60][CH2:61][C:62]([OH:63])=[O:64])[c:65]([F:66])[c:67]1[F:68]>>[F:24][c:25]1[c:26]([F:45])[c:27]([F:44])[c:28]([C:29]([O:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][C:38](=[O:39])[NH:86][CH:81]([CH2:80][C:79]([O:78][CH2:71][c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)=[O:87])[CH2:82][N:83]([CH3:84])[CH3:85])([F:40])[F:41])[cH:42][cH:43]1
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참가 물질

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반응물 6

HCID 313Hydrochloric Acid2회HCID 694201,8-OctanediolHCID 223810251-[Bromo(difluoro)methyl]-2,3,4-trifluorobenzeneHCID 66874261HCID 66874261, 화합물HCID 66874843Benzyl 3-amino-4-(dimethylamino)butanoateHCID 66893100HCID 66893100, 화합물

생성물 1

HCID 66875646
HCID 66875646, 화합물

출처 및 근거

ORD 기록
ord-e5d04e5e0c0244999655ad7fce8f454e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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