Bicarbonate Ion → 1-[4-[(3-Chloro-4-methoxyphenyl)methylamino]-2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-5-yl]pentan-1-ol

HRID 313050Notes

Reaction equation

HRID 313050 reaction equation
[C:32](=[O:33])([O-:34])[OH:35].[CH2:27]([CH2:28][CH2:29][CH3:30])[Li:31].[CH3:64][CH2:65][CH2:66][CH2:67][CH2:68][CH3:69].[Na+:36].[OH:1][CH2:2][CH:3]1[N:4]([c:8]2[n:9][cH:10][c:11]([CH:25]=[O:26])[c:12]([NH:14][CH2:15][c:16]3[cH:17][c:18]([Cl:24])[c:19]([O:22][CH3:23])[cH:20][cH:21]3)[n:13]2)[CH2:5][CH2:6][CH2:7]1.[OH:37][CH2:38][CH:39]1[CH2:40][CH2:41][CH2:42][N:43]1[c:44]1[n:45][c:46]([NH:47][CH2:48][c:49]2[cH:50][cH:51][c:52]([O:53][CH3:54])[c:55]([Cl:56])[cH:57]2)[c:58]([C:59](=[O:60])[CH3:61])[cH:62][n:63]1>>[OH:1][CH2:2][CH:3]1[N:4]([c:8]2[n:9][cH:10][c:11]([CH:25]([OH:26])[CH2:27][CH2:28][CH2:29][CH3:30])[c:12]([NH:14][CH2:15][c:16]3[cH:17][c:18]([Cl:24])[c:19]([O:22][CH3:23])[cH:20][cH:21]3)[n:13]2)[CH2:5][CH2:6][CH2:7]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 8058HexaneHCID 220259094-[(3-Chloro-4-methoxyphenyl)methylamino]-2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidine-5-carbaldehydeHCID 226655681-[4-[(3-Chloro-4-methoxyphenyl)methylamino]-2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-5-yl]ethanoneHCID 178418339Butyllithium

Product 1

HCID 226655831-[4-[(3-Chloro-4-methoxyphenyl)methylamino]-2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-5-yl]pentan-1-ol

Sources & evidence

ORD record
ord-b4d2d966ae474971b73bb2bc91b7f315
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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