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Glyoxylic Acid → 2-(3-Carbamoylphenylamino)-2-(4-(2-(3-(3-cyanophenyl)-1-methylureido)ethyl)phenyl)acetic acid

HRID 292005
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HRID 292005 반응식
[C:1](#[N:2])[c:3]1[cH:4][c:5]([NH:9][C:10]([N:11]([CH3:12])[CH2:13][CH2:14][c:15]2[cH:16][cH:17][c:18]([B:21]([OH:22])[OH:23])[cH:19][cH:20]2)=[O:24])[cH:6][cH:7][cH:8]1.[C:36]([CH:37]=[O:38])(=[O:39])[OH:40].[NH2:25][c:26]1[cH:27][c:28]([C:29](=[O:30])[NH2:31])[cH:32][cH:33][cH:34]1.[OH2:35]>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([NH:9][C:10]([N:11]([CH3:12])[CH2:13][CH2:14][c:15]2[cH:16][cH:17][c:18]([CH:37]([NH:25][c:26]3[cH:27][c:28]([C:29](=[O:30])[NH2:31])[cH:32][cH:33][cH:34]3)[C:36](=[O:39])[OH:40])[cH:19][cH:20]2)=[O:24])[cH:6][cH:7][cH:8]1
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반응물 4

HCID 760Glyoxylic AcidHCID 962WaterHCID 16453-AminobenzamideHCID 578426104-(2-(3-(3-Cyanophenyl)-1-methylureido)ethyl)phenylboronic acid

생성물 1

HCID 578425772-(3-Carbamoylphenylamino)-2-(4-(2-(3-(3-cyanophenyl)-1-methylureido)ethyl)phenyl)acetic acid

출처 및 근거

ORD 기록
ord-c188ff6c220047888779fdbd3dc1af91
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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