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Dimethylacetamide → HCID 178521193, 화합물

HRID 1231710
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HRID 1231710 반응식
[C:1]([n:2]1[cH:3][cH:4][n:5][cH:6]1)([n:7]1[cH:8][cH:9][n:10][cH:11]1)=[O:12].[CH3:72][N:73]([CH3:74])[C:75](=[O:76])[CH3:77].[F:27][C:28]([F:29])([F:30])[C:31]([O-:32])=[O:33].[NH2:34][CH:35]1[CH:36]2[S:37][CH2:38][C:39]([CH:47]=[C:48]3[C:49](=[O:71])[N:50]([CH2:53][c:54]4[cH:55][cH:56][n+:57]([CH2:60][C:61]([NH:62][c:63]5[cH:64][cH:65][c:66]([OH:69])[cH:67][cH:68]5)=[O:70])[cH:58][cH:59]4)[CH2:51][CH2:52]3)=[C:40]([C:44](=[O:45])[OH:46])[N:41]2[C:42]1=[O:43].[s:13]1[c:14]([S:22][CH2:23][C:24](=[O:25])[OH:26])[n:15][c:16]2[c:17]1[cH:18][cH:19][cH:20][cH:21]2>>[s:13]1[c:14]([S:22][CH2:23][C:24](=[O:26])[NH:34][CH:35]2[CH:36]3[S:37][CH2:38][C:39]([CH:47]=[C:48]4[C:49](=[O:71])[N:50]([CH2:53][c:54]5[cH:55][cH:56][n+:57]([CH2:60][C:61]([NH:62][c:63]6[cH:64][cH:65][c:66]([OH:69])[cH:67][cH:68]6)=[O:70])[cH:58][cH:59]5)[CH2:51][CH2:52]4)=[C:40]([C:44](=[O:45])[O-:46])[N:41]3[C:42]2=[O:43])[n:15][c:16]2[c:17]1[cH:18][cH:19][cH:20][cH:21]2
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 31374DimethylacetamideHCID 682631,1'-CarbonyldiimidazoleHCID 805252-(2-Benzothiazolylthio)acetic acidHCID 84468TrifluoroacetateHCID 178508094HCID 178508094, 화합물

생성물 1

HCID 178521193HCID 178521193, 화합물

출처 및 근거

ORD 기록
ord-cc3e616b87ff46ada402da6bcbb29bad
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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