Ethanol → Glycolic Acid

HRID 287593

반응식

HRID 287593 반응식
[CH3:1][c:2]1[c:3]2[c:8]([c:9]([N:12]3[CH2:13][CH2:14][N:15]([CH3:18])[CH2:16][CH2:17]3)[cH:10][cH:11]1)[CH2:7][CH:6]([NH:19][C:20]([c:21]1[cH:22][cH:23][c:24]([N:27]3[CH2:28][CH2:29][O:30][CH2:31][CH2:32]3)[cH:25][cH:26]1)=[O:33])[CH2:5][CH2:4]2.[CH3:39][CH2:40][OH:41].[OH:34][CH2:35][C:36]([OH:37])=[O:38]>>[CH3:1][c:2]1[c:3]2[c:8]([c:9]([N:12]3[CH2:13][CH2:14][N:15]([CH3:18])[CH2:16][CH2:17]3)[cH:10][cH:11]1)[CH2:7][CH:6]([NH:19][C:20]([c:21]1[cH:22][cH:23][c:24]([N:27]3[CH2:28][CH2:29][O:30][CH2:31][CH2:32]3)[cH:25][cH:26]1)=[O:33])[CH2:5][CH2:4]2.[OH:34][CH2:35][C:36](=[O:37])[OH:38]

참가 물질

5

반응물 3

HCID 702EthanolHCID 757Glycolic AcidHCID 9828909N-[5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-morpholin-4-ylbenzamide

생성물 2

HCID 757Glycolic AcidHCID 9828909N-[5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-morpholin-4-ylbenzamide

출처 및 근거

ORD 기록
ord-594e4b4b02ac44eeac406972563ea3f7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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