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Acetic Acid → 3-[2-(4-Bromophenyl)ethoxy]-N-[2-[2-(4-hydroxy-2-oxo-3H-benzothiazol-7-yl)ethylamino]ethyl]-N-phenethyl-propanamide

HRID 95921
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HRID 95921 반응식
[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][O:10][CH2:11][CH2:12][C:13](=[O:14])[N:15]([CH2:16][CH2:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[CH2:24][CH:25]=[O:26])[cH:6][cH:7]1.[C:46]([BH3-:47])#[N:48].[CH3:42][C:43](=[O:44])[OH:45].[CH3:50][OH:51].[ClH:27].[NH2:28][CH2:29][CH2:30][c:31]1[cH:32][cH:33][c:34]([OH:41])[c:35]2[nH:36][c:37](=[O:40])[s:38][c:39]12.[Na+:49].[OH2:52]>>[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][O:10][CH2:11][CH2:12][C:13](=[O:14])[N:15]([CH2:16][CH2:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[CH2:24][CH2:25][NH:28][CH2:29][CH2:30][c:31]2[cH:32][cH:33][c:34]([OH:41])[c:35]3[nH:36][c:37](=[O:40])[s:38][c:39]23)[cH:6][cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium IonHCID 962WaterHCID 498716Cyano-borohydrideHCID 108567447-(2-Aminoethyl)benzo[d]thiazole-2,4-diolHCID 86625181
HCID 86625181, 화합물

생성물 1

HCID 160350713-[2-(4-Bromophenyl)ethoxy]-N-[2-[2-(4-hydroxy-2-oxo-3H-benzothiazol-7-yl)ethylamino]ethyl]-N-phenethyl-propanamide

출처 및 근거

ORD 기록
ord-60841f35b1f848649b3ce0996693bcb1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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