Acetyl chloride → 1-[1-(1-methoxycarbonylpiperidin-4-yl)-piperidin-4-yl]-3-(methylsulfonyl)-5-bromo-1,3-dihydro-2H-benzimidazol-2-one

HRID 136293Notes

Reaction equation

HRID 136293 reaction equation
[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][CH2:39][CH:40]([n:43]3[c:44](=[O:53])[nH:45][c:46]4[c:47]3[cH:48][cH:49][c:50]([Br:52])[cH:51]4)[CH2:41][CH2:42]2)[CH2:35][CH2:36]1.[CH3:54][C:55](=[O:56])[Cl:57].[CH3:58][S:59]([Cl:60])(=[O:61])=[O:62]>>[CH3:27][O:28][C:29](=[O:30])[N:31]1[CH2:32][CH2:33][CH:34]([N:37]2[CH2:38][CH2:39][CH:40]([n:43]3[c:44](=[O:53])[n:45]([S:59]([CH3:58])(=[O:61])=[O:62])[c:46]4[c:47]3[cH:48][cH:49][c:50]([Br:52])[cH:51]4)[CH2:41][CH2:42]2)[CH2:35][CH2:36]1

Participants

5

Reactant 4

HCID 6367Acetyl chlorideHCID 31297Methanesulfonyl chlorideHCID 227452181-[1-(1-methoxycarbonylpiperidin-4-yl)piperidin-4-yl]-1,3-dihydro-2H-benzimidazol-2-oneHCID 227452501-[1-(1-methoxycarbonylpiperidin-4-yl)-piperidin-4-yl]-5-bromo-1,3-dihydro-2H-benzimidazol-2-one

Product 1

HCID 98927091-[1-(1-methoxycarbonylpiperidin-4-yl)-piperidin-4-yl]-3-(methylsulfonyl)-5-bromo-1,3-dihydro-2H-benzimidazol-2-one

Sources & evidence

ORD record
ord-3afbcd553b2a4bc69c21f1f23b1baac7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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