Acetic Acid → HCID 178450563, compound

HRID 2159408Notes

Reaction equation

HRID 2159408 reaction equation
[C:49]([O:50][BH-:51]([O:52][C:53](=[O:54])[CH3:55])[O:56][C:57](=[O:58])[CH3:59])(=[O:60])[CH3:61].[C:63](=[O:64])([O-:65])[OH:66].[CH2:1]([CH:2]([CH3:3])[CH3:4])[O:5][CH:6]([CH3:7])[O:8][NH:9][C:10](=[O:11])[c:12]1[cH:13][c:14]2[c:15]([s:16]1)[cH:17][c:18]([CH:21]=[O:22])[cH:19][cH:20]2.[CH3:70][C:71](=[O:72])[OH:73].[CH:23]1([O:28][C:29]([CH:30]([CH2:31][c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[NH:38][CH2:39][c:40]2[cH:41][cH:42][c:43]([CH2:46][NH2:47])[cH:44][cH:45]2)=[O:48])[CH2:24][CH2:25][CH2:26][CH2:27]1.[N:68]#[N:69].[Na+:62].[Na+:67]>>[CH2:1]([CH:2]([CH3:3])[CH3:4])[O:5][CH:6]([CH3:7])[O:8][NH:9][C:10](=[O:11])[c:12]1[cH:13][c:14]2[c:15]([s:16]1)[cH:17][c:18]([CH2:21][NH:47][CH2:46][c:43]1[cH:42][cH:41][c:40]([CH2:39][NH:38][CH:30]([C:29]([O:28][CH:23]3[CH2:24][CH2:25][CH2:26][CH2:27]3)=[O:48])[CH2:31][c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[cH:45][cH:44]1)[cH:19][cH:20]2

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 947NitrogenHCID 2724942TriacetoxyborohydrideHCID 57971713HCID 57971713, compoundHCID 67052635HCID 67052635, compound

Product 1

HCID 178450563HCID 178450563, compound

Sources & evidence

ORD record
ord-138aee0ce61742f7aa1e766f2daa217a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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