Acetic Acid → HCID 67253544, compound

HRID 2132507Notes

Reaction equation

HRID 2132507 reaction equation
[C:54]([O:55][BH-:56]([O:57][C:58](=[O:59])[CH3:60])[O:61][C:62](=[O:63])[CH3:64])(=[O:65])[CH3:66].[CH2:44]1[CH2:45][O:46][CH2:47][CH2:48][NH:49]1.[CH2:68]([Cl:69])[Cl:70].[CH3:50][C:51](=[O:52])[OH:53].[CH:1]1([n:7]2[c:8]([NH:18][c:19]3[n:20][n:21]([CH2:36][O:37][CH2:38][CH2:39][Si:40]([CH3:41])([CH3:42])[CH3:43])[c:22]4[cH:23][cH:24][c:25](-[c:28]5[cH:29][n:30][cH:31][cH:32][c:33]5[O:34][CH3:35])[cH:26][c:27]34)[n:9][c:10]3[c:11]2[cH:12][cH:13][c:14]([CH:16]=[O:17])[cH:15]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Na+:67]>>[CH:1]1([n:7]2[c:8]([NH:18][c:19]3[n:20][n:21]([CH2:36][O:37][CH2:38][CH2:39][Si:40]([CH3:41])([CH3:42])[CH3:43])[c:22]4[cH:23][cH:24][c:25](-[c:28]5[cH:29][n:30][cH:31][cH:32][c:33]5[O:34][CH3:35])[cH:26][c:27]34)[n:9][c:10]3[c:11]2[cH:12][cH:13][c:14]([CH2:16][N:49]2[CH2:44][CH2:45][O:46][CH2:47][CH2:48]2)[cH:15]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

7

Sources & evidence

ORD record
ord-bd0ebf8cf7fc4d6197eb6c02d316a1f2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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