Acetic Acid → HCID 59835806, compound

HRID 668708Notes

Reaction equation

HRID 668708 reaction equation
[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH3:1][C:2](=[O:3])[OH:4].[CH3:32][CH:33]1[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]1.[Cl:5][c:6]1[cH:7][cH:8][c:9](-[c:12]2[cH:13][cH:14][c:15]([C:18]#[C:19][c:20]3[cH:21][cH:22][c:23]([N:26]4[CH2:27][C:28](=[O:31])[CH2:29][CH2:30]4)[n:24][cH:25]3)[n:16][cH:17]2)[cH:10][cH:11]1.[Na+:43].[O-:39][C:40]([OH:41])=[O:42]>>[Cl:5][c:6]1[cH:7][cH:8][c:9](-[c:12]2[cH:13][cH:14][c:15]([C:18]#[C:19][c:20]3[cH:21][cH:22][c:23]([N:26]4[CH2:27][CH:28]([N:36]5[CH2:35][CH2:34][CH:33]([CH3:32])[CH2:38][CH2:37]5)[CH2:29][CH2:30]4)[n:24][cH:25]3)[n:16][cH:17]2)[cH:10][cH:11]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 693814-MethylpiperidineHCID 67365019HCID 67365019, compound

Product 1

HCID 59835806HCID 59835806, compound

Sources & evidence

ORD record
ord-7c03b97121294cc58bcffcb115146a52
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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