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Trifluoroacetic acid → {3-[2-(4-Chloro-benzyl)-1,1-dioxo-1,2-dihydro-1lambda6-benzo[e][1,2,3]thiadiazin-4-yl]-5-fluoro-2-methyl-indol-1-yl}-acetic acid

HRID 1134139
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반응식

HRID 1134139 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][n:8]1[c:9]([CH3:38])[c:10]([C:18]2=[N:19][N:20]([CH2:30][c:31]3[cH:32][cH:33][c:34]([Cl:37])[cH:35][cH:36]3)[S:21](=[O:28])(=[O:29])[c:22]3[c:23]2[cH:24][cH:25][cH:26][cH:27]3)[c:11]2[cH:12][c:13]([F:17])[cH:14][cH:15][c:16]12)=[O:39].[F:40][C:41]([F:42])([F:43])[C:44]([OH:45])=[O:46]>>[O:5]=[C:6]([CH2:7][n:8]1[c:9]([CH3:38])[c:10]([C:18]2=[N:19][N:20]([CH2:30][c:31]3[cH:32][cH:33][c:34]([Cl:37])[cH:35][cH:36]3)[S:21](=[O:28])(=[O:29])[c:22]3[c:23]2[cH:24][cH:25][cH:26][cH:27]3)[c:11]2[cH:12][c:13]([F:17])[cH:14][cH:15][c:16]12)[OH:39]
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반응물 2

HCID 6422Trifluoroacetic acidHCID 67315806{3-[2-(4-Chloro-benzyl)-1,1-dioxo-1,2-dihydro-1lambda6-benzo[e][1,2,3]thiadiazin-4-yl]-5-fluoro-2-methyl-indol-1-yl}-acetic acid tert-butyl ester

생성물 1

HCID 59753836{3-[2-(4-Chloro-benzyl)-1,1-dioxo-1,2-dihydro-1lambda6-benzo[e][1,2,3]thiadiazin-4-yl]-5-fluoro-2-methyl-indol-1-yl}-acetic acid

출처 및 근거

ORD 기록
ord-084526f86dd944d09d67731a06e49b97
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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