Acetic Acid → HCID 67385883, compound

HRID 87976Notes

Reaction equation

[C:56]([O:57][BH-:58]([O:59][C:60](=[O:61])[CH3:62])[O:63][C:64](=[O:65])[CH3:66])(=[O:67])[CH3:68].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][N:8]([c:9]2[n:10][cH:11][c:12](-[c:15]3[c:16]4[c:17]([n:18][c:19]([N:21]5[CH2:22][CH2:23][O:24][CH2:25][CH2:26]5)[n:20]3)[N:27]([c:30]3[cH:31][cH:32][c:33]([CH:34]=[O:35])[cH:36][cH:37]3)[CH2:28][CH2:29]4)[cH:13][n:14]2)[CH2:38][c:39]2[cH:40][cH:41][c:42]([O:45][CH3:46])[cH:43][cH:44]2)[cH:47][cH:48]1.[CH3:49][N:50]1[CH2:51][CH2:52][NH:53][CH2:54][CH2:55]1.[CH3:70][C:71](=[O:72])[OH:73].[Cl-:74].[Cl:76][CH2:77][Cl:78].[NH4+:75].[Na+:69]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][N:8]([c:9]2[n:10][cH:11][c:12](-[c:15]3[c:16]4[c:17]([n:18][c:19]([N:21]5[CH2:22][CH2:23][O:24][CH2:25][CH2:26]5)[n:20]3)[N:27]([c:30]3[cH:31][cH:32][c:33]([CH2:34][N:53]5[CH2:52][CH2:51][N:50]([CH3:49])[CH2:55][CH2:54]5)[cH:36][cH:37]3)[CH2:28][CH2:29]4)[cH:13][n:14]2)[CH2:38][c:39]2[cH:40][cH:41][c:42]([O:45][CH3:46])[cH:43][cH:44]2)[cH:47][cH:48]1

Participants

Reactant 8

HCID 6344Dichloromethane

HCID 531671-Methylpiperazine

HCID 2724942Triacetoxyborohydride

HCID 59244394HCID 59244394, compound

Product 1

HCID 67385883HCID 67385883, compound

Sources & evidence

ORD record: ord-51f6d75d656c4325940b1ed2b44d0e95
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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