Water → Propionic Acid

HRID 146021

반응식

HRID 146021 반응식
[C:24]([CH2:25][CH3:26])(=[O:27])[O:28][C:29](=[O:30])[CH2:31][CH3:32].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:23]1)[C:7]([c:17]1[cH:18][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.[OH2:33]>>[C:24]([CH2:25][CH3:26])(=[O:27])[OH:28].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:23]1)[C:7]([c:17]1[cH:18][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 31263Propionic anhydrideHCID 162244alpha-Hydroxyalprazolam

생성물 2

HCID 1032Propionic AcidHCID 162244alpha-Hydroxyalprazolam

출처 및 근거

ORD 기록
ord-521ddab792d54793986b47ecfe4b73c5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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