Hydrochloric Acid → Tert-butyl 3-[[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]methylcarbamoyl]piperidine-1-carboxylate

HRID 1132216Notes

Reaction equation

HRID 1132216 reaction equation
[C:32](=[O:33])([O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[N:39]1[CH2:40][CH:41]([C:45](=[O:46])[OH:47])[CH2:42][CH2:43][CH2:44]1.[CH:23]([N:24]([CH2:25][CH3:26])[CH:27]([CH3:28])[CH3:29])([CH3:30])[CH3:31].[Cl:72][CH2:73][Cl:74].[ClH:1].[OH2:75].[P-:48]([F:49])([F:50])([F:51])([F:52])([F:53])[F:54].[S:2](=[O:3])(=[O:4])([c:5]1[cH:6][cH:7][c:8]([CH3:9])[cH:10][cH:11]1)[n:12]1[cH:13][cH:14][c:15]2[c:16]1[n:17][cH:18][c:19]([CH2:21][NH2:22])[n:20]2.[n:55]1([O:56][C:57]([N:58]([CH3:59])[CH3:60])=[N+:61]([CH3:62])[CH3:63])[c:64]2[n:65][cH:66][cH:67][cH:68][c:69]2[n:70][n:71]1>>[S:2](=[O:3])(=[O:4])([c:5]1[cH:6][cH:7][c:8]([CH3:9])[cH:10][cH:11]1)[n:12]1[cH:13][cH:14][c:15]2[c:16]1[n:17][cH:18][c:19]([CH2:21][NH:22][C:45]([CH:41]1[CH2:40][N:39]([C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:44][CH2:43][CH2:42]1)=[O:46])[n:20]2

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 27356471-((Tert-butoxy)carbonyl)piperidine-3-carboxylic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 58009892HCID 58009892, compound

Product 1

HCID 67217108Tert-butyl 3-[[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]methylcarbamoyl]piperidine-1-carboxylate

Sources & evidence

ORD record
ord-831da7e7e20344ce90d277354688d743
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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