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Acetic Acid → Methyl 3-[3-[[2-(4-chlorophenyl)-4-methylthiazol-5-yl]methylamino]piperidin-1-yl]benzoate

HRID 1145615
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HRID 1145615 반응식
[C:51](=[O:52])([OH:53])[O-:54].[C:5]([O:6][BH-:7]([O:8][C:9](=[O:10])[CH3:11])[O:12][C:13](=[O:14])[CH3:15])(=[O:16])[CH3:17].[CH3:1][C:2](=[O:3])[OH:4].[Cl:36][c:37]1[cH:38][cH:39][c:40](-[c:43]2[s:44][c:45]([CH:49]=[O:50])[c:46]([CH3:48])[n:47]2)[cH:41][cH:42]1.[NH2:19][CH:20]1[CH2:21][N:22]([c:26]2[cH:27][c:28]([C:29](=[O:30])[O:31][CH3:32])[cH:33][cH:34][cH:35]2)[CH2:23][CH2:24][CH2:25]1.[Na+:18].[Na+:55].[O:56]1[CH2:57][CH2:58][CH2:59][CH2:60]1>>[NH:19]([CH:20]1[CH2:21][N:22]([c:26]2[cH:27][c:28]([C:29](=[O:30])[O:31][CH3:32])[cH:33][cH:34][cH:35]2)[CH2:23][CH2:24][CH2:25]1)[CH2:49][c:45]1[s:44][c:43](-[c:40]2[cH:39][cH:38][c:37]([Cl:36])[cH:42][cH:41]2)[n:47][c:46]1[CH3:48]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium Ion2회HCID 8028TetrahydrofuranHCID 2724942TriacetoxyborohydrideHCID 123440802-(4-Chlorophenyl)-4-methyl-1,3-thiazole-5-carbaldehydeHCID 58992611Methyl 3-(3-aminopiperidin-1-yl)benzoate

생성물 1

HCID 58992682Methyl 3-[3-[[2-(4-chlorophenyl)-4-methylthiazol-5-yl]methylamino]piperidin-1-yl]benzoate

출처 및 근거

ORD 기록
ord-8bd286703a424bbca14adfe32944452a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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