Acetic Acid → HCID 57815432, compound

HRID 2341497Notes

Reaction equation

HRID 2341497 reaction equation
[C:43]([BH3-:44])#[N:45].[C:47](=[O:48])([O-:49])[OH:50].[CH3:24][OH:25].[CH3:26][O-:27].[CH3:52][OH:53].[CH3:59][C:60](=[O:61])[OH:62].[CH:55]([Cl:56])([Cl:57])[Cl:58].[ClH:1].[F:29][c:30]1[c:31]([N:38]2[CH2:39][CH2:40][CH2:41][CH2:42]2)[n:32][cH:33][c:34]([CH:35]=[O:36])[cH:37]1.[NH2:2][CH:3]1[CH2:4][CH2:5][N:6]([CH2:9][CH2:10][n:11]2[c:12](=[O:23])[cH:13][cH:14][c:15]3[n:16][cH:17][c:18]([O:21][CH3:22])[cH:19][c:20]23)[CH2:7][CH2:8]1.[Na+:28].[Na+:46].[Na+:51].[OH2:54]>>[NH:2]([CH:3]1[CH2:4][CH2:5][N:6]([CH2:9][CH2:10][n:11]2[c:12](=[O:23])[cH:13][cH:14][c:15]3[n:16][cH:17][c:18]([O:21][CH3:22])[cH:19][c:20]23)[CH2:7][CH2:8]1)[CH2:35][c:34]1[cH:33][n:32][c:31]([N:38]2[CH2:39][CH2:40][CH2:41][CH2:42]2)[c:30]([F:29])[cH:37]1

Participants

12

Reactant 11

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 887Methanol2×HCID 923Sodium ion3×HCID 962WaterHCID 6212ChloroformHCID 498716Cyano-borohydrideHCID 3826051MethoxideHCID 578151881-(2-(4-aminopiperidin-1-yl)ethyl)-7-methoxy-1,5-naphthyridin-2(1H)-oneHCID 57815491HCID 57815491, compound

Product 1

HCID 57815432HCID 57815432, compound

Sources & evidence

ORD record
ord-a69eae3da5bd48d2942cc7f5fa11dc34
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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