2-((3-(Pyridin-4-ylmethyl)ureido)oxy)acetic acid → HCID 87259538, 화합물

반응식

[NH2:17][CH:18]([C:19](=[O:20])[N:21]([CH2:22][c:23]1[cH:24][cH:25][cH:26][c:27]2[cH:28][cH:29][cH:30][cH:31][c:32]12)[CH:33]([CH:34]([O:35][CH2:36][CH3:37])[O:38][CH2:39][CH3:40])[CH3:41])[CH2:42][C:43](=[O:44])[NH:45][C:46]([c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1)([c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1)[c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1.[n:1]1[cH:2][cH:3][c:4]([CH2:7][NH:8][C:9]([NH:10][O:11][CH2:12][C:13](=[O:14])[OH:15])=[O:16])[cH:5][cH:6]1>>[n:1]1[cH:2][cH:3][c:4]([CH2:7][NH:8][C:9]([NH:10][O:11][CH2:12][C:13](=[O:15])[NH:17][CH:18]([C:19](=[O:20])[N:21]([CH2:22][c:23]2[cH:24][cH:25][cH:26][c:27]3[cH:28][cH:29][cH:30][cH:31][c:32]23)[CH:33]([CH:34]([O:35][CH2:36][CH3:37])[O:38][CH2:39][CH3:40])[CH3:41])[CH2:42][C:43](=[O:44])[NH:45][C:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)=[O:16])[cH:5][cH:6]1

참가 물질

반응물 2

HCID 533975192-((3-(Pyridin-4-ylmethyl)ureido)oxy)acetic acid

HCID 178471477HCID 178471477, 화합물

생성물 1

HCID 87259538HCID 87259538, 화합물

출처 및 근거

ORD 기록: ord-631421ac5b0245c79d0f6db9a0e7b3ad
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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