Water → Butyric Acid

HRID 662810노트

반응식

HRID 662810 반응식
[C:25]([CH2:26][CH2:27][CH3:28])(=[O:29])[O:30][C:31](=[O:32])[CH2:33][CH2:34][CH3:35].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:24]1)[C:7]([c:17]1[c:18]([Cl:23])[cH:19][cH:20][cH:21][cH:22]1)=[N:8][CH2:9][c:10]1[n:11]-2[c:12]([CH2:15][OH:16])[n:13][n:14]1.[OH2:36]>>[C:25]([CH2:26][CH2:27][CH3:28])(=[O:29])[OH:30].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:24]1)[C:7]([c:17]1[c:18]([Cl:23])[cH:19][cH:20][cH:21][cH:22]1)=[N:8][CH2:9][c:10]1[n:11]-2[c:12]([CH2:15][OH:16])[n:13][n:14]1

참가 물질

5

반응물 3

HCID 962WaterHCID 1963alpha-HydroxytriazolamHCID 7798Butyric anhydride

생성물 2

HCID 264Butyric AcidHCID 1963alpha-Hydroxytriazolam

출처 및 근거

ORD 기록
ord-595ae4ee4e654eaa8d995b808275b16b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

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