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Dichloromethane → Tert-butyl 4-(4-(morpholine-4-carbonyl)thiazol-2-yl)-3-((pyridin-3-yloxy)methyl)piperazine-1-carboxylate

HRID 155579
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HRID 155579 반응식
[B-:55]([F:56])([F:57])([F:58])[F:59].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([CH2:22][O:23][c:24]2[cH:25][n:26][cH:27][cH:28][cH:29]2)[N:11]([c:14]2[s:15][cH:16][c:17]([C:19](=[O:20])[OH:21])[n:18]2)[CH2:12][CH2:13]1.[CH2:30]1[CH2:31][O:32][CH2:33][CH2:34][NH:35]1.[CH:36]([N:37]([CH:38]([CH3:39])[CH3:40])[CH2:41][CH3:42])([CH3:43])[CH3:44].[Cl:77][CH2:78][Cl:79].[OH:45][n:46]1[c:47]2[cH:48][cH:49][cH:50][cH:51][c:52]2[n:53][n:54]1.[n:60]1([O:61][C:62]([N:63]([CH3:64])[CH3:65])=[N+:66]([CH3:67])[CH3:68])[c:69]2[cH:70][cH:71][cH:72][cH:73][c:74]2[n:75][n:76]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([CH2:22][O:23][c:24]2[cH:25][n:26][cH:27][cH:28][cH:29]2)[N:11]([c:14]2[s:15][cH:16][c:17]([C:19](=[O:20])[N:35]3[CH2:30][CH2:31][O:32][CH2:33][CH2:34]3)[n:18]2)[CH2:12][CH2:13]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 6344DichloromethaneHCID 8083MorpholineHCID 26255TetrafluoroborateHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 596714672-(4-(Tert-butoxycarbonyl)-2-((pyridin-3-yloxy)methyl)piperazin-1-yl)thiazole-4-carboxylic acid

생성물 1

HCID 66797341Tert-butyl 4-(4-(morpholine-4-carbonyl)thiazol-2-yl)-3-((pyridin-3-yloxy)methyl)piperazine-1-carboxylate

출처 및 근거

ORD 기록
ord-ee9a6db7292448bb95de0e6b764fab09
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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