Ammonium → 8-Carbamoyl-7-cyano-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid tert-butyl ester

HRID 1153158Notes

Reaction equation

HRID 1153158 reaction equation
[C:24]([CH3:25])([CH3:26])([CH3:27])[O:28][C:29](=[O:30])[N:31]1[CH2:32][c:33]2[n:34]([c:37](-[c:45]3[cH:46][cH:47][cH:48][cH:49][cH:50]3)[c:38]([C:43]#[N:44])[c:39]2[C:40](=[O:41])[OH:42])[CH2:35][CH2:36]1.[CH3:2][N:3]([CH3:4])[CH2:5][CH2:6][CH2:7][N:8]=[C:9]=[N:10][CH2:11][CH3:12].[CH3:53][N:54]([CH3:55])[CH:56]=[O:57].[CH3:58][CH2:59][O:60][CH2:61][CH3:62].[CH3:63][CH2:64][N:65]([CH2:66][CH3:67])[CH2:68][CH3:69].[Cl-:51].[ClH:1].[NH4+:52].[OH2:13].[OH:14][n:15]1[c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]2[n:22][n:23]1>>[NH2:3][C:40]([c:39]1[c:33]2[n:34]([c:37](-[c:45]3[cH:46][cH:47][cH:48][cH:49][cH:50]3)[c:38]1[C:43]#[N:44])[CH2:35][CH2:36][N:31]([C:29]([O:28][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:30])[CH2:32]2)=[O:41]

Participants

11

Reactant 10

HCID 223AmmoniumHCID 312ChlorideHCID 313Hydrochloric AcidHCID 962WaterHCID 3283Diethyl EtherHCID 6228DimethylformamideHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 688892417-Cyano-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxylic acid 2-tert-butyl ester

Product 1

HCID 688876928-Carbamoyl-7-cyano-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-fe6746eebabb4651b753e2b5bee6b02e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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