Acetic Acid → HCID 67458884, compound

HRID 2135686Notes

Reaction equation

HRID 2135686 reaction equation
[C:34]1(=[O:38])[CH2:35][CH2:36][CH2:37]1.[C:39]([O:40][BH-:41]([O:42][C:43](=[O:44])[CH3:45])[O:46][C:47](=[O:48])[CH3:49])(=[O:50])[CH3:51].[C:57](=[O:58])([OH:59])[O-:60].[CH3:53][C:54](=[O:55])[OH:56].[Cl:62][CH:63]([Cl:64])[CH3:65].[NH:1]1[CH2:2][CH:3]([O:5][c:6]2[c:7]([O:32][CH3:33])[cH:8][c:9](-[n:12]3[c:13](=[O:31])[c:14]4[c:15]([cH:16][cH:17]3)[n:18][c:19](-[c:21]3[cH:22][cH:23][c:24]([C:27]([F:28])([F:29])[F:30])[cH:25][cH:26]3)[s:20]4)[cH:10][cH:11]2)[CH2:4]1.[Na+:52].[Na+:61]>>[N:1]1([CH:34]2[CH2:35][CH2:36][CH2:37]2)[CH2:2][CH:3]([O:5][c:6]2[c:7]([O:32][CH3:33])[cH:8][c:9](-[n:12]3[c:13](=[O:31])[c:14]4[c:15]([cH:16][cH:17]3)[n:18][c:19](-[c:21]3[cH:22][cH:23][c:24]([C:27]([F:28])([F:29])[F:30])[cH:25][cH:26]3)[s:20]4)[cH:10][cH:11]2)[CH2:4]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 63651,1-DichloroethaneHCID 14496CyclobutanoneHCID 2724942TriacetoxyborohydrideHCID 67459150HCID 67459150, compound

Product 1

HCID 67458884HCID 67458884, compound

Sources & evidence

ORD record
ord-ed42b759ba2543c0aaf13b0f7e031f00
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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