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Sodium Ion → 4-[({6-[(2,3-Dihydrobenzofuran-5-ylmethyl)carbamoyl]pyrimidine-4-carbonyl}amino) methyl]benzoic acid

HRID 95315
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반응식

HRID 95315 반응식
[Na+:35].[O:1]1[CH2:2][CH2:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([CH2:10][NH:11][C:12](=[O:13])[c:14]1[cH:15][c:16]([C:20](=[O:21])[NH:22][CH2:23][c:24]3[cH:25][cH:26][c:27]([C:28](=[O:29])[O:30][CH3:31])[cH:32][cH:33]3)[n:17][cH:18][n:19]1)[cH:9]2.[O:36]1[CH2:37][CH2:38][CH2:39][CH2:40]1.[OH-:34].[OH2:41]>>[O:1]1[CH2:2][CH2:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([CH2:10][NH:11][C:12](=[O:13])[c:14]1[cH:15][c:16]([C:20](=[O:21])[NH:22][CH2:23][c:24]3[cH:25][cH:26][c:27]([C:28](=[O:29])[OH:30])[cH:32][cH:33]3)[n:17][cH:18][n:19]1)[cH:9]2
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참가 물질

6

반응물 5

HCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 21077886Methyl 4-[({6-[(2,3-dihydrobenzofuran-5-ylmethyl)-carbamoyl]pyrimidine-4-carbonyl}amino)methyl]benzoate

생성물 1

HCID 691592854-[({6-[(2,3-Dihydrobenzofuran-5-ylmethyl)carbamoyl]pyrimidine-4-carbonyl}amino) methyl]benzoic acid
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출처 및 근거

ORD 기록
ord-f6e8580a3a1a4e0c917772deaa8063f8
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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