Acetic Acid → HCID 86618255, compound

HRID 318144Notes

Reaction equation

HRID 318144 reaction equation
[C:23](=[O:24])([O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[N:30]1[CH2:31][CH2:32][NH:33][CH2:34][CH2:35]1.[C:40]([O:41][BH-:42]([O:43][C:44](=[O:45])[CH3:46])[O:47][C:48](=[O:49])[CH3:50])(=[O:51])[CH3:52].[C:62](=[O:63])([O-:64])[O-:65].[CH2:54]1[O:55][CH2:56][CH2:57][CH2:58]1.[CH3:1][O:2][c:3]1[c:4]([CH:21]=[O:22])[c:5]2[cH:6][cH:7][n:8]([S:12](=[O:13])(=[O:14])[c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)[c:9]2[cH:10][cH:11]1.[CH3:36][C:37](=[O:38])[OH:39].[Cl:59][CH2:60][Cl:61].[Na+:53].[Na+:66].[Na+:67]>>[CH3:1][O:2][c:3]1[c:4]([CH2:21][N:33]2[CH2:32][CH2:31][N:30]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:35][CH2:34]2)[c:5]2[cH:6][cH:7][n:8]([S:12](=[O:13])(=[O:14])[c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)[c:9]2[cH:10][cH:11]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 923Sodium ion3×HCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 143452tert-Butyl piperazine-1-carboxylateHCID 2724942TriacetoxyborohydrideHCID 86618256HCID 86618256, compound

Product 1

HCID 86618255HCID 86618255, compound

Sources & evidence

ORD record
ord-b662afc0aeea4a76a341fd239ed229e1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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