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Bicarbonate Ion → 5-Formyl-2-methyl-4-phenyl-1H-pyrrole-3-carboxylic acid (3-diethylamino-2-hydroxy-propyl)-amide

HRID 312045
노트
인쇄 미리보기

반응식

HRID 312045 반응식
[C:38](=[O:39])([OH:40])[O-:41].[CH:1](=[O:2])[c:3]1[c:4](-[c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[c:5]([C:9](=[O:10])[OH:11])[c:6]([CH3:8])[nH:7]1.[CH:45]([Cl:46])([Cl:47])[Cl:48].[NH2:18][CH2:19][CH:20]([CH2:21][N:22]([CH2:23][CH3:24])[CH2:25][CH3:26])[OH:27].[Na+:42].[Na+:44].[OH-:43].[OH:28][n:29]1[c:30]2[c:31]([cH:32][cH:33][cH:34][cH:35]2)[n:36][n:37]1>>[CH:1](=[O:2])[c:3]1[c:4](-[c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[c:5]([C:9](=[O:11])[NH:18][CH2:19][CH:20]([CH2:21][N:22]([CH2:23][CH3:24])[CH2:25][CH3:26])[OH:27])[c:6]([CH3:8])[nH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 769Bicarbonate IonHCID 923Sodium Ion2회HCID 961HydroxideHCID 6212ChloroformHCID 757711-HydroxybenzotriazoleHCID 977491-Amino-3-(diethylamino)propan-2-olHCID 219156195-Formyl-2-methyl-4-phenyl-1H-pyrrole-3-carboxylic Acid

생성물

1
HCID 206047855-Formyl-2-methyl-4-phenyl-1H-pyrrole-3-carboxylic acid (3-diethylamino-2-hydroxy-propyl)-amide

출처 및 근거

ORD 기록
ord-d37e8d0c5d6c477ebd8200739b5692f3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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