Acetic Acid → 1,1-dimethylethyl {1-[2-(5-chloro-2-oxo-1,3-benzthiazol-3(2H)-yl)ethyl]-4-piperidinyl}(2,3-dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)carbamate

HRID 151232Notes

Reaction equation

HRID 151232 reaction equation
[CH3:40][OH:41].[CH3:42][C:43](=[O:44])[OH:45].[CH:46]([Cl:47])([Cl:48])[Cl:49].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([n:7]([CH2:11][CH:12]=[O:13])[c:8](=[O:10])[s:9]2)[cH:14]1.[O:15]1[CH2:16][CH2:17][O:18][c:19]2[cH:20][n:21][c:22]([CH2:25][N:26]([C:27]([O:28][C:29]([CH3:30])([CH3:31])[CH3:32])=[O:33])[CH:34]3[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]3)[cH:23][c:24]21>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([n:7]([CH2:11][CH2:12][N:37]3[CH2:36][CH2:35][CH:34]([N:26]([CH2:25][c:22]4[n:21][cH:20][c:19]5[c:24]([cH:23]4)[O:15][CH2:16][CH2:17][O:18]5)[C:27]([O:28][C:29]([CH3:30])([CH3:31])[CH3:32])=[O:33])[CH2:39][CH2:38]3)[c:8](=[O:10])[s:9]2)[cH:14]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 887MethanolHCID 6212ChloroformHCID 21487294(5-Chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acetaldehydeHCID 578154611,1-Dimethylethyl (2,3-dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-4-piperidinylcarbamate

Product 1

HCID 866353431,1-dimethylethyl {1-[2-(5-chloro-2-oxo-1,3-benzthiazol-3(2H)-yl)ethyl]-4-piperidinyl}(2,3-dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)carbamate

Sources & evidence

ORD record
ord-4683f083d5874a499896d8d274ac3c4b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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