O-(Tetrahydropyran-2-yl)hydroxylamine → 5-[[3-(Oxan-2-yloxyiminomethyl)phenyl]methyl-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]benzene-1,2,4-tricarboxylic acid

반응식

[CH:1](=[O:2])[c:3]1[cH:4][c:5]([CH2:6][N:7]([C:8](=[O:9])[c:10]2[c:11]([C:22](=[O:23])[OH:24])[cH:12][c:13]([C:19](=[O:20])[OH:21])[c:14]([C:16](=[O:17])[OH:18])[cH:15]2)[CH:25]2[CH2:26][CH2:27][CH2:28][c:29]3[cH:30][cH:31][cH:32][cH:33][c:34]32)[cH:35][cH:36][cH:37]1.[O:38]1[CH:39]([O:44][NH2:45])[CH2:40][CH2:41][CH2:42][CH2:43]1>>[CH:1]([c:3]1[cH:4][c:5]([CH2:6][N:7]([C:8](=[O:9])[c:10]2[c:11]([C:22](=[O:23])[OH:24])[cH:12][c:13]([C:19](=[O:20])[OH:21])[c:14]([C:16](=[O:17])[OH:18])[cH:15]2)[CH:25]2[CH2:26][CH2:27][CH2:28][c:29]3[cH:30][cH:31][cH:32][cH:33][c:34]32)[cH:35][cH:36][cH:37]1)=[N:45][O:44][CH:39]1[O:38][CH2:43][CH2:42][CH2:41][CH2:40]1

참가 물질

반응물 2

HCID 5142091O-(Tetrahydropyran-2-yl)hydroxylamine

HCID 178519572HCID 178519572, 화합물

생성물 1

HCID 1732044395-[[3-(Oxan-2-yloxyiminomethyl)phenyl]methyl-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]benzene-1,2,4-tricarboxylic acid

출처 및 근거

ORD 기록: ord-c12ffa745da14c9eb8cdc7a87be54038
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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