Acetic Acid → HCID 59285266, compound

HRID 1143877Notes

Reaction equation

HRID 1143877 reaction equation
[C:32]([O:33][C:34]([CH3:35])([CH3:36])[CH3:37])(=[O:38])[N:39]1[CH2:40][CH2:41][NH:42][CH2:43][CH2:44]1.[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].[CH3:66][C:67](=[O:68])[OH:69].[CH:1]1([NH:4][C:5]([c:6]2[cH:7][c:8]([F:30])[c:9]([CH3:29])[c:10](-[c:12]3[cH:13][c:14]4[c:15]([CH:27]=[O:28])[cH:16][n:17]([CH2:23][CH2:24][CH2:25][OH:26])[c:18](=[O:22])[c:19]4[cH:20][cH:21]3)[cH:11]2)=[O:31])[CH2:2][CH2:3]1.[ClH:59].[Na+:58].[O:60]1[CH2:61][CH2:62][O:63][CH2:64][CH2:65]1>>[CH:1]1([NH:4][C:5]([c:6]2[cH:7][c:8]([F:30])[c:9]([CH3:29])[c:10](-[c:12]3[cH:13][c:14]4[c:15]([CH2:27][N:39]5[CH2:40][CH2:41][NH:42][CH2:43][CH2:44]5)[cH:16][n:17]([CH2:23][CH2:24][CH2:25][OH:26])[c:18](=[O:22])[c:19]4[cH:20][cH:21]3)[cH:11]2)=[O:31])[CH2:2][CH2:3]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 312751,4-DioxaneHCID 143452tert-Butyl piperazine-1-carboxylateHCID 2724942TriacetoxyborohydrideHCID 86640966HCID 86640966, compound

Product 1

HCID 59285266HCID 59285266, compound

Sources & evidence

ORD record
ord-eb479021a80849a7a3c9f24a39590567
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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