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1,1-Dichloroethane → 4-Methoxymethyl-4-methyl-piperidine-1-carboxylic acid (7-methoxy-4-morpholin-4-yl-thiazolo[5,4-c]pyridin-2-yl)-amide

HRID 172845
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HRID 172845 반응식
[CH3:35][O:36][CH2:37][C:38]1([CH3:44])[CH2:39][CH2:40][NH:41][CH2:42][CH2:43]1.[CH:45]([N:46]([CH2:47][CH3:48])[CH:49]([CH3:50])[CH3:51])([CH3:52])[CH3:53].[Cl:54][CH:55]([Cl:56])[CH3:57].[F:28][C:29]([F:30])([F:31])[C:32]([OH:33])=[O:34].[O:58]1[CH2:59][CH2:60][CH2:61][CH2:62]1.[c:1]1([O:2][C:8]([NH:9][c:10]2[s:11][c:12]3[c:13]([N:21]4[CH2:22][CH2:23][O:24][CH2:25][CH2:26]4)[n:14][cH:15][c:16]([O:19][CH3:20])[c:17]3[n:18]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:21]3[CH2:22][CH2:23][O:24][CH2:25][CH2:26]3)[n:14][cH:15][c:16]([O:19][CH3:20])[c:17]2[n:18]1)(=[O:27])[N:41]1[CH2:40][CH2:39][C:38]([CH2:37][O:36][CH3:35])([CH3:44])[CH2:43][CH2:42]1
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참가 물질

7

반응물 6

HCID 63651,1-DichloroethaneHCID 6422Trifluoroacetic acidHCID 8028TetrahydrofuranHCID 81531DiisopropylethylamineHCID 225077254-(Methoxymethyl)-4-methylpiperidineHCID 86597258(7-Methoxy-4-morpholin-4-yl-thiazolo[5,4-c]pyridin-2-yl)-carbamic acid phenyl ester

생성물 1

HCID 86597277
4-Methoxymethyl-4-methyl-piperidine-1-carboxylic acid (7-methoxy-4-morpholin-4-yl-thiazolo[5,4-c]pyridin-2-yl)-amide

출처 및 근거

ORD 기록
ord-9a6b07a3eab240318471b8698fc1cb61
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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