Acetic Acid → HCID 25260789, compound

HRID 1118047Notes

Reaction equation

HRID 1118047 reaction equation
[C:36]([O:37][BH-:38]([O:39][C:40](=[O:41])[CH3:42])[O:43][C:44](=[O:45])[CH3:46])(=[O:47])[CH3:48].[CH3:28][C:29]([CH3:30])=[O:31].[CH3:32][C:33](=[O:34])[OH:35].[CH3:50][OH:51].[Na+:49].[c:1]1(-[c:7]2[n:8][cH:9][cH:10][c:11](-[c:13]3[cH:14][n:15][c:16]4[n:17]3[cH:18][cH:19][c:20]([CH:22]3[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]3)[cH:21]4)[cH:12]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[n:8][cH:9][cH:10][c:11](-[c:13]3[cH:14][n:15][c:16]4[n:17]3[cH:18][cH:19][c:20]([CH:22]3[CH2:23][CH2:24][N:25]([CH:29]([CH3:28])[CH3:30])[CH2:26][CH2:27]3)[cH:21]4)[cH:12]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

7

Sources & evidence

ORD record
ord-11f13faaafec4dc39f2c1d58255988d8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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