Hydrochloric Acid → HCID 178483509, compound

HRID 2323167Notes

Reaction equation

HRID 2323167 reaction equation
[Cl:14][c:15]1[cH:16][c:17]([CH:22]([CH2:23][N:24]([C:25]([O:26][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:31])[CH3:32])[CH2:33][CH:34]=[O:35])[cH:18][cH:19][c:20]1[Cl:21].[ClH:1].[ClH:2].[ClH:36].[ClH:37].[F:48][c:49]1[cH:50][cH:51][c:52]([CH:53]([CH2:54][CH:55]=[O:56])[CH2:57][N:58]([CH3:59])[C:60](=[O:61])[O:62][C:63]([CH3:64])([CH3:65])[CH3:66])[cH:67][cH:68]1.[NH:38]1[CH2:39][CH:40]([N:41]2[CH2:42][CH2:43][S:44][CH2:45][CH2:46]2)[CH2:47]1.[NH:3]1[CH2:4][CH:5]([N:7]2[CH2:8][CH2:9][CH:10]([F:13])[CH2:11][CH2:12]2)[CH2:6]1>>[N:3]1([CH2:34][CH2:33][CH:22]([c:17]2[cH:16][c:15]([Cl:14])[c:20]([Cl:21])[cH:19][cH:18]2)[CH2:23][N:24]([C:25]([O:26][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:31])[CH3:32])[CH2:4][CH:5]([N:7]2[CH2:8][CH2:9][CH:10]([F:13])[CH2:11][CH2:12]2)[CH2:6]1

Participants

6

Reactant 5

HCID 313Hydrochloric Acid4×HCID 110948981-(Azetidin-3-yl)-4-fluoropiperidineHCID 22452656tert-butyl N-[2-(3,4-dichlorophenyl)-4-oxobutyl]-N-methylcarbamateHCID 450885624-(Azetidin-3-yl)thiomorpholineHCID 86606881Tert-butyl [2-(4-fluorophenyl)-4-oxobutyl]methylcarbamate

Product 1

HCID 178483509HCID 178483509, compound

Sources & evidence

ORD record
ord-d934f67a3df64b1c9923630895e694bc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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