Bicarbonate Ion → HCID 178491065, compound

HRID 681825Notes

Reaction equation

HRID 681825 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH:10]([CH3:49])[N:11]([CH:14]([CH3:15])[c:16]2[cH:17][n:18][c:19]([F:48])[c:20](-[c:22]3[n:23][c:24]([CH3:47])[n:25][c:26]([N:28]([CH2:29][c:30]4[cH:31][cH:32][c:33]([O:36][CH3:37])[cH:34][cH:35]4)[CH2:38][c:39]4[cH:40][cH:41][c:42]([O:45][CH3:46])[cH:43][cH:44]4)[n:27]3)[cH:21]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[CH3:62][S:63]([Cl:64])(=[O:65])=[O:66].[Cl:67][CH2:68][Cl:69].[F:50][C:51]([F:52])([F:53])[C:54]([OH:55])=[O:56].[Na+:61].[O-:57][C:58]([OH:59])=[O:60].[OH2:70]>>[N:8]1([S:63]([CH3:62])(=[O:65])=[O:66])[CH2:9][CH:10]([CH3:49])[N:11]([CH:14]([CH3:15])[c:16]2[cH:17][n:18][c:19]([F:48])[c:20](-[c:22]3[n:23][c:24]([CH3:47])[n:25][c:26]([N:28]([CH2:29][c:30]4[cH:31][cH:32][c:33]([O:36][CH3:37])[cH:34][cH:35]4)[CH2:38][c:39]4[cH:40][cH:41][c:42]([O:45][CH3:46])[cH:43][cH:44]4)[n:27]3)[cH:21]2)[CH2:12][CH2:13]1

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 31297Methanesulfonyl chlorideHCID 66612152Tert-butyl 4-[1-[5-[4-[bis[(4-methoxyphenyl)methyl]amino]-6-methyl-1,3,5-triazin-2-yl]-6-fluoro-3-pyridinyl]ethyl]-3-methylpiperazine-1-carboxylate

Product 1

HCID 178491065HCID 178491065, compound

Sources & evidence

ORD record
ord-a5ff0ba9f05d4ca3b850bfe20c96cbf8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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