Acetic Acid → HCID 59398155, compound

HRID 2343747Notes

Reaction equation

HRID 2343747 reaction equation
[C:38]([O:39][BH-:40]([O:41][C:42](=[O:43])[CH3:44])[O:45][C:46](=[O:47])[CH3:48])(=[O:49])[CH3:50].[C:52](=[O:53])([O-:54])[OH:55].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([CH3:17])[cH:8][c:9](=[O:16])[n:10]([CH2:13][CH:14]=[O:15])[c:11]2[cH:12]1.[CH3:62][C:63](=[O:64])[OH:65].[CH:58]([Cl:59])([Cl:60])[Cl:61].[Cl:66][CH2:67][Cl:68].[NH:18]1[CH2:19][CH2:20][CH:21]([NH:24][S:25](=[O:26])(=[O:27])[c:28]2[cH:29][c:30]3[c:31]([cH:36][cH:37]2)[O:32][CH2:33][CH2:34][O:35]3)[CH2:22][CH2:23]1.[Na+:51].[Na+:56].[OH2:57]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([CH3:17])[cH:8][c:9](=[O:16])[n:10]([CH2:13][CH2:14][N:18]3[CH2:19][CH2:20][CH:21]([NH:24][S:25](=[O:26])(=[O:27])[c:28]4[cH:29][c:30]5[c:31]([cH:36][cH:37]4)[O:32][CH2:33][CH2:34][O:35]5)[CH2:22][CH2:23]3)[c:11]2[cH:12]1

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 962WaterHCID 6212ChloroformHCID 6344DichloromethaneHCID 2724942TriacetoxyborohydrideHCID 28811022N-(Piperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamideHCID 59397837(7-methoxy-4-methyl-2-oxoquinolin-1(2H)-yl)acetaldehyde

Product 1

HCID 59398155HCID 59398155, compound

Sources & evidence

ORD record
ord-55dc97289b21487a991143d87f1e2937
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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