Trifluoroacetic acid → (3-{2-[2-(4-Chloro-phenoxy)-ethyl]-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 1550091

반응식

HRID 1550091 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][n:8]1[c:9]([CH3:40])[c:10]([C:18]2=[N:19][N:20]([CH2:30][CH2:31][O:32][c:33]3[cH:34][cH:35][c:36]([Cl:39])[cH:37][cH:38]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:41].[F:42][C:43]([F:44])([F:45])[C:46]([OH:47])=[O:48]>>[O:5]=[C:6]([CH2:7][n:8]1[c:9]([CH3:40])[c:10]([C:18]2=[N:19][N:20]([CH2:30][CH2:31][O:32][c:33]3[cH:34][cH:35][c:36]([Cl:39])[cH:37][cH:38]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:41]

참가 물질

3

반응물 2

HCID 6422Trifluoroacetic acidHCID 67316049(3-{2-[2-(4-Chloro-phenoxy)-ethyl]-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 59753824(3-{2-[2-(4-Chloro-phenoxy)-ethyl]-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-0db2d14d82b44fbcb6b0df45d4372dd1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

연결된 노트

불러오는 중…