2-Piperazin-1-yl-1,3-benzothiazole → 9-[4-(4-benzothiazol-2-yl-piperazin-1-yl)-butyl]-9H-xanthene-9-carboxylic acid-(2,2,2-trifluoro-ethyl)-amide

HRID 120845노트

반응식

HRID 120845 반응식
[F:1][C:2]([CH2:3][NH:4][C:5](=[O:6])[C:7]1([CH2:21][CH2:22][CH2:23][CH2:24][Br:25])[c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]2[O:14][c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]21)([F:26])[F:27].[N:28]1([c:34]2[s:35][c:36]3[c:37]([n:38]2)[cH:39][cH:40][cH:41][cH:42]3)[CH2:29][CH2:30][NH:31][CH2:32][CH2:33]1>>[F:1][C:2]([CH2:3][NH:4][C:5](=[O:6])[C:7]1([CH2:21][CH2:22][CH2:23][CH2:24][N:31]2[CH2:30][CH2:29][N:28]([c:34]3[s:35][c:36]4[c:37]([n:38]3)[cH:39][cH:40][cH:41][cH:42]4)[CH2:33][CH2:32]2)[c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]2[O:14][c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]21)([F:26])[F:27]

참가 물질

3

반응물 2

HCID 5921222-Piperazin-1-yl-1,3-benzothiazoleHCID 221802034-[9-(2,2,2-Trifluoroethylcarbamoyl)-9H-xanthen-9-yl]butyl bromide

생성물 1

HCID 226362119-[4-(4-benzothiazol-2-yl-piperazin-1-yl)-butyl]-9H-xanthene-9-carboxylic acid-(2,2,2-trifluoro-ethyl)-amide

출처 및 근거

ORD 기록
ord-20924cc9f5e24a28b0d23ecab4f839a3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

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