Acetic Acid → HCID 59605971, compound

HRID 2129870Notes

Reaction equation

HRID 2129870 reaction equation
[C:57]([O:58][BH-:59]([O:60][C:61](=[O:62])[CH3:63])[O:64][C:65](=[O:66])[CH3:67])(=[O:68])[CH3:69].[CH2:1]([CH3:2])[c:3]1[n:4][c:5]2[c:6]([n:7]1-[c:8]1[n:9][c:10]([N:25]3[CH2:26][CH2:27][O:28][CH2:29][CH2:30]3)[c:11]3[n:12][c:13]([CH:23]=[O:24])[n:14]([CH:17]4[O:18][CH2:19][CH2:20][CH2:21][CH2:22]4)[c:15]3[n:16]1)[cH:31][cH:32][cH:33][cH:34]2.[CH3:46][O:47][CH:48]([O:49][CH3:50])[O:51][CH3:52].[CH3:53][C:54](=[O:55])[OH:56].[ClH:35].[Na+:70].[O:36]1[CH2:37][CH2:38][CH:39]([CH:42]2[CH2:43][NH:44][CH2:45]2)[CH2:40][CH2:41]1>>[CH2:1]([CH3:2])[c:3]1[n:4][c:5]2[c:6]([n:7]1-[c:8]1[n:9][c:10]([N:25]3[CH2:26][CH2:27][O:28][CH2:29][CH2:30]3)[c:11]3[n:12][c:13]([CH2:23][N:44]4[CH2:43][CH:42]([CH:39]5[CH2:38][CH2:37][O:36][CH2:41][CH2:40]5)[CH2:45]4)[n:14]([CH:17]4[O:18][CH2:19][CH2:20][CH2:21][CH2:22]4)[c:15]3[n:16]1)[cH:31][cH:32][cH:33][cH:34]2

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 9005Trimethyl orthoformateHCID 2724942TriacetoxyborohydrideHCID 177856443-(Oxan-4-yl)azetidineHCID 59606174HCID 59606174, compound

Product 1

HCID 59605971HCID 59605971, compound

Sources & evidence

ORD record
ord-29595be89220413a94c6bb13f60d132b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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