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Chloride → 3-Benzylpyrrolylmethyl 2-(5-chloro-2-benzothienyl)-3-methylbutanoate

HRID 2322194
노트
인쇄 미리보기

반응식

HRID 2322194 반응식
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[c:9]([CH2:13][OH:14])[nH:10][cH:11][cH:12]1.[CH3:15][CH2:16][N:17]([CH2:18][CH3:19])[CH2:20][CH3:21].[Cl-:22].[Cl:23][c:24]1[cH:25][cH:26][c:27]2[c:28]([cH:29][c:30]([CH:32]([C:33](=[O:34])[OH:35])[CH:36]([CH3:37])[CH3:38])[s:31]2)[cH:39]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[c:9]([CH2:13][O:14][C:33]([CH:32]([c:30]2[cH:29][c:28]3[c:27]([cH:26][cH:25][c:24]([Cl:23])[cH:39]3)[s:31]2)[CH:36]([CH3:37])[CH3:38])=[O:34])[nH:10][cH:11][cH:12]1
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 312ChlorideHCID 8471TriethylamineHCID 542046732-(5-Chloro-2-benzothienyl)-3-methylbutanoic acidHCID 543430813-Benzyl-1-pyrrolylmethanol

생성물 1

HCID 538193603-Benzylpyrrolylmethyl 2-(5-chloro-2-benzothienyl)-3-methylbutanoate

출처 및 근거

ORD 기록
ord-e80f078ea73e4c248366fb3a899739ce
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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