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Chloroform → (+)-4-Methoxymethyl-piperidine-1-carboxylic acid (7-[1,4]dioxan-2-yl-4-methoxy-benzothiazol-2-yl)-amide

HRID 693626
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HRID 693626 반응식
[CH2:44]([N:45]([CH:46]([CH3:47])[CH3:48])[CH:49]([CH3:50])[CH3:51])[CH3:52].[CH3:35][O:36][CH2:37][CH:38]1[CH2:39][CH2:40][NH:41][CH2:42][CH2:43]1.[CH:53]([Cl:54])([Cl:55])[Cl:56].[F:28][C:29]([F:30])([F:31])[C:32]([OH:33])=[O:34].[c:1]1([O:2][C:8]([NH:9][c:10]2[s:11][c:12]3[c:13]([n:14]2)[c:15]([O:25][CH3:26])[cH:16][cH:17][c:18]3[CH:19]2[O:20][CH2:21][CH2:22][O:23][CH2:24]2)=[O:27])[cH:3][cH:4][cH:5][cH:6][cH:7]1>>[C:8]([NH:9][c:10]1[s:11][c:12]2[c:13]([n:14]1)[c:15]([O:25][CH3:26])[cH:16][cH:17][c:18]2[CH:19]1[O:20][CH2:21][CH2:22][O:23][CH2:24]1)(=[O:27])[N:41]1[CH2:40][CH2:39][CH:38]([CH2:37][O:36][CH3:35])[CH2:43][CH2:42]1
참가 물질출처 및 근거반응 노트

참가 물질

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반응물 5

HCID 6212ChloroformHCID 6422Trifluoroacetic acidHCID 81531DiisopropylethylamineHCID 47152834-(Methoxymethyl)piperidineHCID 20769454(+)-(7-[1,4]Dioxan-2-yl-4-methoxy-benzothiazol-2-yl)-carbamic acid phenyl ester

생성물 1

HCID 86594663
(+)-4-Methoxymethyl-piperidine-1-carboxylic acid (7-[1,4]dioxan-2-yl-4-methoxy-benzothiazol-2-yl)-amide

출처 및 근거

ORD 기록
ord-e5b5df0d85834d4089afb090fe88b2ec
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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