Trifluoroacetic acid → [3-(2-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

반응식

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][n:8]1[c:9]([CH3:37])[c:10]([C:18]2=[N:19][N:20]([CH2:30][c:31]3[cH:32][cH:33][cH:34][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:38].[F:39][C:40]([F:41])([F:42])[C:43]([OH:44])=[O:45]>>[O:5]=[C:6]([CH2:7][n:8]1[c:9]([CH3:37])[c:10]([C:18]2=[N:19][N:20]([CH2:30][c:31]3[cH:32][cH:33][cH:34][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:38]

참가 물질

반응물 2

HCID 6422Trifluoroacetic acid

HCID 67315485[3-(2-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 59753802[3-(2-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-f993bd2147e24db0b92e62b261ca260d
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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