Sulfuric Acid → 1-chloro-N-[2-chloro-4-fluoro-5-(6-hydroxy-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)phenyl]methanesulfonamide

반응식

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

참가 물질

반응물 3

HCID 1118Sulfuric Acid

HCID 7909Methyl Isobutyl Ketone

HCID 187608461-[[4-Chloro-5-(chloromethylsulfonylamino)-2-fluorophenyl]carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid

생성물 1

HCID 187608391-chloro-N-[2-chloro-4-fluoro-5-(6-hydroxy-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)phenyl]methanesulfonamide

출처 및 근거

ORD 기록: ord-6bb0fd7624234f828bd82cd820052dce
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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