Oxalate → Oxalic Acid

HRID 87634

반응식

[C:42]([C:43](=[O:44])[O-:45])(=[O:46])[O-:47].[N:1]1([CH2:6][CH2:7][O:8][c:9]2[cH:10][cH:11][c:12](-[c:15]3[c:16]([C:24](=[O:25])[c:26]4[cH:27][cH:28][c:29]([O:32][CH2:33][CH:34]([CH3:35])[N:36]5[C:37](=[O:41])[CH2:38][CH2:39][CH2:40]5)[cH:30][cH:31]4)[c:17]4[c:18]([s:19]3)[cH:20][cH:21][cH:22][cH:23]4)[cH:13][cH:14]2)[CH2:2][CH2:3][CH2:4][CH2:5]1>>[C:42]([C:43](=[O:44])[OH:45])(=[O:46])[OH:47].[N:1]1([CH2:6][CH2:7][O:8][c:9]2[cH:10][cH:11][c:12](-[c:15]3[c:16]([CH2:24][c:26]4[cH:27][cH:28][c:29]([O:32][CH2:33][CH:34]([CH3:35])[N:36]5[C:37](=[O:41])[CH2:38][CH2:39][CH2:40]5)[cH:30][cH:31]4)[c:17]4[c:18]([s:19]3)[cH:20][cH:21][cH:22][cH:23]4)[cH:13][cH:14]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

참가 물질

반응물 2

HCID 71081Oxalate

HCID 18318459HCID 18318459, 화합물

생성물 2

HCID 971Oxalic Acid

HCID 183184661-[1-[4-[[2-[4-(2-Pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl]methyl]phenoxy]propan-2-yl]pyrrolidin-2-one

출처 및 근거

ORD 기록: ord-9d81ad3f542745fea65121bbbce87ce9
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

연결된 노트

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