Hydrochloric Acid → 2-[4-[2-(Azetidin-1-yl)-6-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-3,5-dicyano-4-pyridinyl]phenoxy]ethyl 2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

HRID 1202195Notes

Reaction equation

HRID 1202195 reaction equation
[C:39]([CH3:40])([CH3:41])([CH3:42])[O:43][C:44](=[O:45])[NH:46][CH:47]([CH2:48][CH2:49][CH2:50][NH:51][C:52](=[O:53])[O:54][C:55]([CH3:56])([CH3:57])[CH3:58])[C:59](=[O:60])[OH:61].[CH2:92]1[O:93][CH2:94][CH2:95][CH2:96]1.[CH3:66][N:67]([CH3:68])[CH2:69][CH2:70][CH2:71][N:72]=[C:73]=[N:74][CH2:75][CH3:76].[CH3:77][N:78]([CH3:79])[c:80]1[cH:81][cH:82][n:83][cH:84][cH:85]1.[Cl:62][CH2:63][Cl:64].[ClH:65].[N:1]1([c:5]2[n:6][c:7]([S:25][CH2:26][c:27]3[n:28][c:29](-[c:32]4[cH:33][cH:34][c:35]([Cl:38])[cH:36][cH:37]4)[s:30][cH:31]3)[c:8]([C:23]#[N:24])[c:9](-[c:13]3[cH:14][cH:15][c:16]([O:19][CH2:20][CH2:21][OH:22])[cH:17][cH:18]3)[c:10]2[C:11]#[N:12])[CH2:2][CH2:3][CH2:4]1.[O:86]=[CH:87][N:88]([CH3:89])[CH3:90].[OH2:91]>>[N:1]1([c:5]2[n:6][c:7]([S:25][CH2:26][c:27]3[n:28][c:29](-[c:32]4[cH:33][cH:34][c:35]([Cl:38])[cH:36][cH:37]4)[s:30][cH:31]3)[c:8]([C:23]#[N:24])[c:9](-[c:13]3[cH:14][cH:15][c:16]([O:19][CH2:20][CH2:21][O:22][C:59]([CH:47]([NH:46][C:44]([O:43][C:39]([CH3:40])([CH3:41])[CH3:42])=[O:45])[CH2:48][CH2:49][CH2:50][NH:51][C:52](=[O:53])[O:54][C:55]([CH3:56])([CH3:57])[CH3:58])=[O:60])[cH:17][cH:18]3)[c:10]2[C:11]#[N:12])[CH2:2][CH2:3][CH2:4]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 142844-(Dimethylamino)pyridineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 110996242,5-Bis({[(tert-butoxy)carbonyl]amino})pentanoic acidHCID 468530232-(Azetidin-1-yl)-6-({(2-(4-chlorophenyl)-1,3-thiazol-4-yl)methyl}sulfanyl)-4-(4-(2-hydroxyethoxy)phenyl)pyridine-3,5-dicarbonitrile

Product 1

HCID 779335602-[4-[2-(Azetidin-1-yl)-6-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-3,5-dicyano-4-pyridinyl]phenoxy]ethyl 2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

Sources & evidence

ORD record
ord-7530521921e94e16916634d47c0dea1e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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