Acetic Acid → HCID 24991163, compound

HRID 670519Notes

Reaction equation

HRID 670519 reaction equation
[C:37]([BH3-:38])#[N:39].[CH2:35]=[O:36].[CH3:31][C:32](=[O:33])[OH:34].[CH3:42][OH:43].[NH:1]1[CH2:2][CH:3]([O:5][c:6]2[c:7]([O:29][CH3:30])[cH:8][c:9]([N:12]3[C:13](=[O:28])[c:14]4[c:15]([n:18][c:19](-[c:21]5[cH:22][cH:23][c:24]([Cl:27])[cH:25][cH:26]5)[s:20]4)[CH2:16][CH2:17]3)[cH:10][cH:11]2)[CH2:4]1.[Na+:40].[OH2:41]>>[N:1]1([CH3:31])[CH2:2][CH:3]([O:5][c:6]2[c:7]([O:29][CH3:30])[cH:8][c:9]([N:12]3[C:13](=[O:28])[c:14]4[c:15]([n:18][c:19](-[c:21]5[cH:22][cH:23][c:24]([Cl:27])[cH:25][cH:26]5)[s:20]4)[CH2:16][CH2:17]3)[cH:10][cH:11]2)[CH2:4]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 712FormaldehydeHCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 498716Cyano-borohydrideHCID 249911625-[4-(azetidin-3-yloxy)-3-methoxy-phenyl]-2-(4-chloro-phenyl)-6,7-dihydro-5H-thiazolo[5,4-c]pyridin-4-one

Product 1

HCID 24991163HCID 24991163, compound

Sources & evidence

ORD record
ord-93b10037b1f44817b9020031686ecafd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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