Hydrochloric Acid → HCID 67189185, 화합물

HRID 102662노트

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HRID 102662 반응식
[CH3:1][O:2][C:3]([c:4]1[cH:5][cH:6][c:7]([CH2:10][n:11]2[n:12][c:13]([NH:16][C:17]([CH:18]([CH2:19][CH:20]3[CH2:21][CH2:22][CH2:23][CH2:24]3)[c:25]3[cH:26][c:27]([Cl:35])[c:28]([S:31](=[O:32])(=[O:33])[CH3:34])[cH:29][cH:30]3)=[O:36])[cH:14][cH:15]2)[cH:8][cH:9]1)=[O:37].[ClH:38].[O:39]1[CH2:40][CH2:41][O:42][CH2:43][CH2:44]1.[OH2:45]>>[O:2]=[C:3]([c:4]1[cH:5][cH:6][c:7]([CH2:10][n:11]2[n:12][c:13]([NH:16][C:17]([CH:18]([CH2:19][CH:20]3[CH2:21][CH2:22][CH2:23][CH2:24]3)[c:25]3[cH:26][c:27]([Cl:35])[c:28]([S:31](=[O:32])(=[O:33])[CH3:34])[cH:29][cH:30]3)=[O:36])[cH:14][cH:15]2)[cH:8][cH:9]1)[OH:37]

참가 물질

5

반응물 4

HCID 313Hydrochloric AcidHCID 962WaterHCID 312751,4-DioxaneHCID 67192358Methyl 4-[[3-[[2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentylpropanoyl]amino]pyrazol-1-yl]methyl]benzoate

생성물 1

HCID 67189185HCID 67189185, 화합물

출처 및 근거

ORD 기록
ord-71bee14f39cc4c53abb0432b56bd728f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

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