1-(4-(4-Hydroxyphenyl)piperazin-1-yl)ethanone → 5-{3-[4-(4-Acetyl-piperazin-1-yl)-phenoxy]-propyl}-2-[8-(benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-thiazole-4-carboxylic acid

HRID 167618

반응식

HRID 167618 반응식
[OH:48][c:49]1[cH:50][cH:51][c:52]([N:55]2[CH2:56][CH2:57][N:58]([C:61]([CH3:62])=[O:63])[CH2:59][CH2:60]2)[cH:53][cH:54]1.[s:1]1[c:2]([NH:10][C:11](=[O:12])[c:13]2[cH:14][cH:15][cH:16][c:17]3[c:22]2[CH2:21][N:20]([c:23]2[s:24][c:25]([CH2:31][CH2:32][CH2:33][O:34][c:35]4[cH:36][cH:37][c:38](-[c:41]5[c:42]([C:43]#[N:44])[cH:45][s:46][cH:47]5)[cH:39][cH:40]4)[c:26]([C:28](=[O:29])[OH:30])[n:27]2)[CH2:19][CH2:18]3)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[s:1]1[c:2]([NH:10][C:11](=[O:12])[c:13]2[cH:14][cH:15][cH:16][c:17]3[c:22]2[CH2:21][N:20]([c:23]2[s:24][c:25]([CH2:31][CH2:32][CH2:33][O:34][c:35]4[cH:36][cH:37][c:38]([N:55]5[CH2:56][CH2:57][N:58]([C:61]([CH3:62])=[O:63])[CH2:59][CH2:60]5)[cH:39][cH:40]4)[c:26]([C:28](=[O:29])[OH:30])[n:27]2)[CH2:19][CH2:18]3)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2

참가 물질

3

반응물 2

HCID 7124411-(4-(4-Hydroxyphenyl)piperazin-1-yl)ethanoneHCID 468362452-[8-(Benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-{3-[4-(4-cyano-thiophen-3-yl)-phenoxy]-propyl]-thiazole-4-carboxylic acid

생성물 1

HCID 468364335-{3-[4-(4-Acetyl-piperazin-1-yl)-phenoxy]-propyl}-2-[8-(benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-thiazole-4-carboxylic acid

출처 및 근거

ORD 기록
ord-fc50a58a1ab241fc9d67cb6007b2df1a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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