Acetic Acid → HCID 18348478, compound

HRID 667237

Reaction equation

HRID 667237 reaction equation
[C:37]([O:38][BH-:39]([O:40][C:41](=[O:42])[CH3:43])[O:44][C:45](=[O:46])[CH3:47])(=[O:48])[CH3:49].[CH3:51][O:52][CH:53]1[CH2:54][CH2:55][C:56](=[O:59])[CH2:57][CH2:58]1.[CH3:60][C:61](=[O:62])[OH:63].[NH2:1][CH2:2][c:3]1[n:4][c:5]([NH:22][CH2:23][CH:24]([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:6]2[n:7][cH:8][n:9]([CH:12]3[O:13][CH:14]([CH2:19][O:20][CH3:21])[CH:15]([OH:18])[CH:16]3[OH:17])[c:10]2[n:11]1.[Na+:50].[O:64]1[CH2:65][CH2:66][CH2:67][CH2:68]1>>[NH:1]([CH2:2][c:3]1[n:4][c:5]([NH:22][CH2:23][CH:24]([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:6]2[n:7][cH:8][n:9]([CH:12]3[O:13][CH:14]([CH2:19][O:20][CH3:21])[CH:15]([OH:18])[CH:16]3[OH:17])[c:10]2[n:11]1)[CH:56]1[CH2:55][CH2:54][CH:53]([O:52][CH3:51])[CH2:58][CH2:57]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 5350284-MethoxycyclohexanoneHCID 2724942TriacetoxyborohydrideHCID 183484232-[2-(Aminomethyl)-6-(2,2-diphenylethylamino)purin-9-yl]-5-(methoxymethyl)oxolane-3,4-diol

Product 1

HCID 18348478HCID 18348478, compound

Sources & evidence

ORD record
ord-3fe5e18e024f450a8bf5048ec0bfc7f4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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