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Acetic Acid → (2,3-Dihydro-benzo[1,4]dioxin-6-ylmethyl)-{2-[2-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-pyrrolidin-1-yl]-ethyl}-methyl-amine

HRID 102180
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HRID 102180 반응식
[C:36]([O:37][BH-:38]([O:39][C:40](=[O:41])[CH3:42])[O:43][C:44](=[O:45])[CH3:46])(=[O:47])[CH3:48].[CH3:32][C:33](=[O:34])[OH:35].[CH3:50][OH:51].[Na+:49].[O:1]1[CH2:2][CH2:3][O:4][c:5]2[c:6]1[cH:7][cH:8][c:9]([CH2:11][NH:12][CH2:13][CH2:14][N:15]1[CH:16]([c:20]3[n:21][c:22](-[n:27]4[cH:28][n:29][cH:30][cH:31]4)[n:23][c:24]([CH3:26])[cH:25]3)[CH2:17][CH2:18][CH2:19]1)[cH:10]2>>[O:1]1[CH2:2][CH2:3][O:4][c:5]2[c:6]1[cH:7][cH:8][c:9]([CH2:11][N:12]([CH2:13][CH2:14][N:15]1[CH:16]([c:20]3[n:21][c:22](-[n:27]4[cH:28][n:29][cH:30][cH:31]4)[n:23][c:24]([CH3:26])[cH:25]3)[CH2:17][CH2:18][CH2:19]1)[CH3:32])[cH:10]2
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반응물 5

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium IonHCID 2724942TriacetoxyborohydrideHCID 59551907(2,3-Dihydro-benzo[1,4]dioxin-6-ylmethyl)-{2-[2-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-pyrrolidin-1-yl]-ethyl}-amine

생성물 1

HCID 11633463
(2,3-Dihydro-benzo[1,4]dioxin-6-ylmethyl)-{2-[2-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-pyrrolidin-1-yl]-ethyl}-methyl-amine

출처 및 근거

ORD 기록
ord-2a7a2ee093054902b7ca341b26064846
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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