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Acetate → 5-chloro-N-[1-(2,3-dihydroxypropylamino)-2,3-dihydro-1H-inden-2-yl]-1H-indole-2-carboxamide

HRID 2126850
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HRID 2126850 반응식
[CH3:2][C:3](=[O:4])[O-:5].[CH3:67][OH:68].[Cl:36][c:37]1[cH:38][c:39]2[cH:40][c:41]([C:46](=[O:47])[NH:48][CH:49]3[CH:50]([NH:58][CH2:59][CH:60]4[O:61][C:62]([CH3:65])([CH3:66])[O:63][CH2:64]4)[c:51]4[cH:52][cH:53][cH:54][cH:55][c:56]4[CH2:57]3)[nH:42][c:43]2[cH:44][cH:45]1.[Cl:69][CH2:70][Cl:71].[F:29][C:30]([F:31])([F:32])[C:33]([OH:34])=[O:35].[K+:1].[NH2:6][CH:7]1[c:8]2[c:9]([cH:10][cH:11][cH:12][cH:13]2)[CH2:14][CH:15]1[NH:16][C:17]([c:18]1[nH:19][c:20]2[c:21]([cH:22]1)[cH:23][c:24]([Cl:25])[cH:26][cH:27]2)=[O:28]>>[Cl:36][c:37]1[cH:38][c:39]2[cH:40][c:41]([C:46](=[O:47])[NH:48][CH:49]3[CH:50]([NH:58][CH2:59][CH:60]([OH:61])[CH2:64][OH:63])[c:51]4[cH:52][cH:53][cH:54][cH:55][c:56]4[CH2:57]3)[nH:42][c:43]2[cH:44][cH:45]1
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참가 물질

8

반응물 7

HCID 175AcetateHCID 813Potassium CationHCID 887MethanolHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 21883948Rac-n-(1-amino-2,3-dihydro-1h-inden-2-yl)-5-chloro-1h-indole-2-carboxamideHCID 178431433HCID 178431433, 화합물

생성물

1
HCID 218839425-chloro-N-[1-(2,3-dihydroxypropylamino)-2,3-dihydro-1H-inden-2-yl]-1H-indole-2-carboxamide

출처 및 근거

ORD 기록
ord-0c6a951f0ad8416c89293ee8d2947dfc
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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