Acetic Acid → Tert-butyl 4-[3-[3-bromo-4-(2-ethoxy-2-oxoethoxy)-5-methoxycarbonylthiophen-2-yl]anilino]piperidine-1-carboxylate

HRID 2131817Notes

Reaction equation

HRID 2131817 reaction equation
[C:25]([CH3:26])([CH3:27])([CH3:28])[O:29][C:30](=[O:31])[N:32]1[CH2:33][CH2:34][C:35](=[O:38])[CH2:36][CH2:37]1.[C:43]([O:44][BH-:45]([O:46][C:47](=[O:48])[CH3:49])[O:50][C:51](=[O:52])[CH3:53])(=[O:54])[CH3:55].[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7](-[c:18]2[cH:19][c:20]([NH2:24])[cH:21][cH:22][cH:23]2)[c:8]([Br:17])[c:9]1[O:10][CH2:11][C:12](=[O:13])[O:14][CH2:15][CH3:16].[CH3:39][C:40](=[O:41])[OH:42].[Cl:57][CH2:58][Cl:59].[Na+:56]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7](-[c:18]2[cH:19][c:20]([NH:24][CH:35]3[CH2:34][CH2:33][N:32]([C:30]([O:29][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:31])[CH2:37][CH2:36]3)[cH:21][cH:22][cH:23]2)[c:8]([Br:17])[c:9]1[O:10][CH2:11][C:12](=[O:13])[O:14][CH2:15][CH3:16]

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 6344DichloromethaneHCID 735900tert-Butyl 4-oxopiperidine-1-carboxylateHCID 2724942TriacetoxyborohydrideHCID 68836370Methyl 5-(3-aminophenyl)-4-bromo-3-(2-ethoxy-2-oxoethoxy)thiophene-2-carboxylate

Product 1

HCID 68835642Tert-butyl 4-[3-[3-bromo-4-(2-ethoxy-2-oxoethoxy)-5-methoxycarbonylthiophen-2-yl]anilino]piperidine-1-carboxylate

Sources & evidence

ORD record
ord-b82c612853f94e4e999c25be555ce6f4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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