Acetate → HCID 18791670, compound

HRID 1566508Notes

Reaction equation

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][CH2:10][CH2:11][O:12][c:13]1[c:14]([C:15](=[O:16])[NH:17][c:18]2[c:19]([O:50][CH3:51])[cH:20][c:21]([C:22](=[O:23])[N:24]([c:25]3[c:26]([O:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][C:38](=[O:39])[N:40]4[CH2:41][CH2:42][C:43](=[O:46])[CH2:44][CH2:45]4)[cH:27][c:28]([CH3:31])[cH:29][cH:30]3)[CH3:47])[cH:48][cH:49]2)[cH:52][cH:53][cH:54][cH:55]1.[C:61](#[N:62])[BH3-:63].[CH3:57][C:58](=[O:59])[O-:60].[CH3:67][OH:68].[CH3:69][C:70](=[O:71])[OH:72].[NH4+:56].[Na+:64].[Na+:66].[OH-:65]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][CH2:10][CH2:11][O:12][c:13]1[c:14]([C:15](=[O:16])[NH:17][c:18]2[c:19]([O:50][CH3:51])[cH:20][c:21]([C:22](=[O:23])[N:24]([c:25]3[c:26]([O:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][C:38](=[O:39])[N:40]4[CH2:41][CH2:42][CH:43]([NH2:62])[CH2:44][CH2:45]4)[cH:27][c:28]([CH3:31])[cH:29][cH:30]3)[CH3:47])[cH:48][cH:49]2)[cH:52][cH:53][cH:54][cH:55]1

Participants

Reactant 8

HCID 498716Cyano-borohydride

HCID 18791297HCID 18791297, compound

Product 1

HCID 18791670HCID 18791670, compound

Sources & evidence

ORD record: ord-59c45c06cae7493da779f330db5a1370
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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