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Hydrochloric Acid → HCID 178450910, 화합물

HRID 190691
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HRID 190691 반응식
[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[S:9][CH2:10][CH2:11][C:12](=[O:13])[N:14]1[CH:15]([C:26](=[O:27])[OH:28])[CH2:16][CH2:17][CH:18]1[c:19]1[c:20]([OH:25])[cH:21][cH:22][cH:23][cH:24]1.[C:37]([CH3:38])([CH3:39])([CH3:40])[O:41][C:42]([CH:43]([NH2:44])[CH2:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)=[O:52].[C:65]([Cl:66])(=[O:67])[O:68][CH2:69][CH:70]([CH3:71])[CH3:72].[CH2:60]1[O:61][CH2:62][CH2:63][CH2:64]1.[CH3:29][N:30]1[CH2:31][CH2:32][O:33][CH2:34][CH2:35]1.[CH3:53][CH2:54][N:55]([CH2:56][CH3:57])[CH2:58][CH3:59].[ClH:36]>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[S:9][CH2:10][CH2:11][C:12](=[O:13])[N:14]1[CH:15]([C:26](=[O:28])[NH:44][CH:43]([C:42]([O:41][C:37]([CH3:38])([CH3:39])[CH3:40])=[O:52])[CH2:45][c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[CH2:16][CH2:17][CH:18]1[c:19]1[c:20]([OH:25])[cH:21][cH:22][cH:23][cH:24]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric AcidHCID 79724-MethylmorpholineHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 62365Isobutyl chloroformateHCID 262751Phenylalanine, 1,1-dimethylethyl esterHCID 128784451-(S-benzoyl-3-mercaptopropanoyl)-5-(2-hydroxyphenyl)-2-pyrrolidinecarboxylic acid

생성물 1

HCID 178450910HCID 178450910, 화합물

출처 및 근거

ORD 기록
ord-afbfc3e2be8549ba80d6d88ded05da81
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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