Acetic Acid → HCID 57756225, compound

HRID 294672Notes

Reaction equation

HRID 294672 reaction equation
[C:45]([O:46][BH-:47]([O:48][C:49](=[O:50])[CH3:51])[O:52][C:53](=[O:54])[CH3:55])(=[O:56])[CH3:57].[C:59](=[O:60])([OH:61])[O-:62].[C:64]([OH:65])(=[O:66])[CH3:67].[CH2:40]1[CH2:41][CH2:42][NH:43][CH2:44]1.[CH3:68][OH:69].[NH2:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9]([O:14][c:15]3[cH:16][cH:17][c:18]([NH:21][c:22]4[n:23][n:24][c:25](-[c:32]5[cH:33][cH:34][c:35]([CH:36]=[O:37])[cH:38][cH:39]5)[c:26]5[cH:27][cH:28][cH:29][cH:30][c:31]45)[cH:19][cH:20]3)[n:10][cH:11][cH:12][cH:13]2)[n:7]1.[Na+:58].[Na+:63]>>[NH2:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9]([O:14][c:15]3[cH:16][cH:17][c:18]([NH:21][c:22]4[n:23][n:24][c:25](-[c:32]5[cH:33][cH:34][c:35]([CH2:36][N:43]6[CH2:42][CH2:41][CH2:40][CH2:44]6)[cH:38][cH:39]5)[c:26]5[cH:27][cH:28][cH:29][cH:30][c:31]45)[cH:19][cH:20]3)[n:10][cH:11][cH:12][cH:13]2)[n:7]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion2×HCID 31268PyrrolidineHCID 2724942TriacetoxyborohydrideHCID 86614167HCID 86614167, compound

Product 1

HCID 57756225HCID 57756225, compound

Sources & evidence

ORD record
ord-555e13fe69ed4a4eb87fd600e7e25605
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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