Bicarbonate Ion → HCID 44547948, compound

HRID 309534Notes

Reaction equation

HRID 309534 reaction equation
[C:77](=[O:78])([OH:79])[O-:80].[CH3:50][N:51]([C:52]([N:53]([CH3:54])[CH3:55])=[N+:56]1[c:57]2[c:58]([n:59][cH:60][cH:61][cH:62]2)[N+:63]([O-:64])=[N:65]1)[CH3:66].[CH3:82][N:83]([CH3:84])[CH:85]=[O:86].[CH:1]1([N:6]2[c:7]3[c:8]([cH:17][n:18][c:19]([NH:21][c:22]4[c:23]([O:31][CH3:32])[cH:24][c:25]([C:26](=[O:27])[OH:28])[cH:29][cH:30]4)[n:20]3)[N:9]([CH3:16])[C:10](=[O:15])[C:11]([F:13])([F:14])[CH2:12]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[CH:67]([N:68]([CH:69]([CH3:70])[CH3:71])[CH2:72][CH3:73])([CH3:74])[CH3:75].[Cl:33][c:34]1[cH:35][c:36]([CH2:37][NH2:38])[cH:39][c:40]([Cl:42])[cH:41]1.[Na+:81].[OH2:76].[P-:43]([F:44])([F:45])([F:46])([F:47])([F:48])[F:49]>>[CH:1]1([N:6]2[c:7]3[c:8]([cH:17][n:18][c:19]([NH:21][c:22]4[c:23]([O:31][CH3:32])[cH:24][c:25]([C:26](=[O:28])[NH:38][CH2:37][c:36]5[cH:35][c:34]([Cl:33])[cH:41][c:40]([Cl:42])[cH:39]5)[cH:29][cH:30]4)[n:20]3)[N:9]([CH3:16])[C:10](=[O:15])[C:11]([F:13])([F:14])[CH2:12]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

10

Reactant 9

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 457602Benzenemethanamine, 3,5-dichloro-HCID 252529054-(9-Cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b][1,4]diazepin-2-ylamino)-3-methoxybenzoic acidHCID 178484291HCID 178484291, compound

Product 1

HCID 44547948HCID 44547948, compound

Sources & evidence

ORD record
ord-238ae7597c164ec2aab137c95c11e76c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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