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Acetyl chloride → 1-[1-(1-methoxycarbonylpiperidin-4-yl)-azetidin-3-yl]-3-(methylsulfonyl)-1,3-dihydro-2H-benzimidazol-2-one

HRID 211941
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HRID 211941 반응식
[CH3:1][O:2][C:3]([N:4]1[CH2:5][CH2:6][CH:7]([N:8]2[CH2:9][CH2:10][CH:11]([n:12]3[c:13]4[cH:14][cH:15][cH:16][cH:17][c:18]4[nH:19][c:20]3=[O:21])[CH2:22][CH2:23]2)[CH2:24][CH2:25]1)=[O:26].[CH3:27][O:28][C:29](=[O:30])[N:31]1[CH2:32][CH2:33][CH:34]([N:37]2[CH2:38][CH:39]([n:41]3[c:42](=[O:50])[nH:43][c:44]4[c:45]3[cH:46][cH:47][cH:48][cH:49]4)[CH2:40]2)[CH2:35][CH2:36]1.[CH3:51][C:52](=[O:53])[Cl:54].[CH3:55][S:56]([Cl:57])(=[O:58])=[O:59]>>[CH3:27][O:28][C:29](=[O:30])[N:31]1[CH2:32][CH2:33][CH:34]([N:37]2[CH2:38][CH:39]([n:41]3[c:42](=[O:50])[n:43]([S:56]([CH3:55])(=[O:58])=[O:59])[c:44]4[c:45]3[cH:46][cH:47][cH:48][cH:49]4)[CH2:40]2)[CH2:35][CH2:36]1
참가 물질출처 및 근거반응 노트

참가 물질

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반응물 4

HCID 6367Acetyl chlorideHCID 31297Methanesulfonyl chlorideHCID 227452181-[1-(1-methoxycarbonylpiperidin-4-yl)piperidin-4-yl]-1,3-dihydro-2H-benzimidazol-2-oneHCID 227452551-[1-(1-methoxycarbonylpiperidin-4-yl)-azetidin-3-yl]-1,3-dihydro-2H-benzimidazol-2-one

생성물 1

HCID 99093811-[1-(1-methoxycarbonylpiperidin-4-yl)-azetidin-3-yl]-3-(methylsulfonyl)-1,3-dihydro-2H-benzimidazol-2-one

출처 및 근거

ORD 기록
ord-0d70c179cc4f4daea16d4a60176d83fd
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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