Bicarbonate Ion → HCID 178454236, compound

HRID 126238Notes

Reaction equation

HRID 126238 reaction equation
[C:36]([CH3:37])([CH3:38])([CH3:39])[O:40][C:41]([NH:42][C:43](=[NH:44])[c:45]1[cH:46][cH:47][c:48]([CH2:51][NH2:52])[cH:49][cH:50]1)=[O:53].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]([c:12]1[cH:13][n:14][c:15]2[n:16]([c:17]1=[O:18])[CH:19]([C:22](=[O:23])[OH:24])[CH2:20][CH2:21]2)[CH2:25][c:26]1[cH:27][c:28]([C:32]([F:33])([F:34])[F:35])[cH:29][cH:30][cH:31]1.[CH3:59][CH2:60][N:61]=[C:62]=[N:63][CH2:64][CH2:65][CH2:66][N:67]([CH3:68])[CH3:69].[CH3:70][CH2:71][O:72][C:73]([CH3:74])=[O:75].[Cl:76][CH2:77][Cl:78].[Na+:58].[O-:54][C:55]([OH:56])=[O:57].[O:79]=[CH:80][N:81]([CH3:82])[CH3:83]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]([c:12]1[cH:13][n:14][c:15]2[n:16]([c:17]1=[O:18])[CH:19]([C:22](=[O:23])[NH:52][CH2:51][c:48]1[cH:47][cH:46][c:45]([C:43]([NH:42][C:41]([O:40][C:36]([CH3:37])([CH3:38])[CH3:39])=[O:53])=[NH:44])[cH:50][cH:49]1)[CH2:20][CH2:21]2)[CH2:25][c:26]1[cH:27][c:28]([C:32]([F:33])([F:34])[F:35])[cH:29][cH:30][cH:31]1

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 219797214-oxo-3-[phenylmethoxycarbonyl-[[3-(trifluoromethyl)phenyl]methyl]amino]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acidHCID 145832046tert-butyl N-[4-(aminomethyl)benzenecarboximidoyl]carbamate

Product 1

HCID 178454236HCID 178454236, compound

Sources & evidence

ORD record
ord-85be267de14c44748836c6cbf8174f94
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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