Formaldehyde → HCID 46896408, compound

HRID 695434Notes

Reaction equation

HRID 695434 reaction equation
[C:1]([BH3-:2])#[N:3].[CH2:58]=[O:59].[CH2:5]1[O:6][CH2:7][CH2:8][CH2:9]1.[CH3:60][OH:61].[CH:10]1([c:16]2[c:17]3[cH:18][cH:19][c:20]([C:49](=[O:50])[NH:51][S:52]([N:53]([CH3:54])[CH3:55])(=[O:56])=[O:57])[cH:21][c:22]3[n:23]3[c:24]2-[c:25]2[c:26]([cH:43][c:44]([O:47][CH3:48])[cH:45][cH:46]2)[CH:27]=[C:28]([C:30](=[O:31])[N:32]2[CH2:33][C:34]45[CH2:35][O:36][CH2:37][C:38]4([CH2:39]2)[CH2:40][NH:41][CH2:42]5)[CH2:29]3)[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15]1.[Na+:4]>>[CH3:1][N:41]1[CH2:40][C:38]23[C:34]([CH2:33][N:32]([C:30]([C:28]4=[CH:27][c:26]5[c:25]([cH:46][cH:45][c:44]([O:47][CH3:48])[cH:43]5)-[c:24]5[c:16]([CH:10]6[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15]6)[c:17]6[cH:18][cH:19][c:20]([C:49](=[O:50])[NH:51][S:52]([N:53]([CH3:54])[CH3:55])(=[O:56])=[O:57])[cH:21][c:22]6[n:23]5[CH2:29]4)=[O:31])[CH2:39]2)([CH2:35][O:36][CH2:37]3)[CH2:42]1

Participants

7

Reactant 6

HCID 712FormaldehydeHCID 887MethanolHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 498716Cyano-borohydrideHCID 46896310HCID 46896310, compound

Product 1

HCID 46896408HCID 46896408, compound

Sources & evidence

ORD record
ord-86ec5bafc00643baba419b2095a0d190
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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