Formaldehyde → HCID 23585167, compound

HRID 180100Notes

Reaction equation

HRID 180100 reaction equation
[C:39]([BH3-:40])#[N:41].[CH2:37]=[O:38].[CH3:48][C:49]#[N:50].[CH3:51][OH:52].[Cl:1][c:2]1[c:3]([C:33]([F:34])([F:35])[F:36])[cH:4][c:5]([NH:8][C:9](=[O:10])[CH:11]2[NH:12][CH2:13][c:14]3[cH:15][cH:16][c:17]([O:21][c:22]4[cH:23][c:24]([C:28]5=[N:32][CH2:31][CH2:30][NH:29]5)[n:25][cH:26][cH:27]4)[cH:18][c:19]3[CH2:20]2)[cH:6][cH:7]1.[Na+:42].[Na+:47].[O-:43][C:44]([OH:45])=[O:46]>>[Cl:1][c:2]1[c:3]([C:33]([F:34])([F:35])[F:36])[cH:4][c:5]([NH:8][C:9](=[O:10])[CH:11]2[N:12]([CH3:39])[CH2:13][c:14]3[cH:15][cH:16][c:17]([O:21][c:22]4[cH:23][c:24]([C:28]5=[N:32][CH2:31][CH2:30][NH:29]5)[n:25][cH:26][cH:27]4)[cH:18][c:19]3[CH2:20]2)[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 712FormaldehydeHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion2×HCID 6342AcetonitrileHCID 498716Cyano-borohydrideHCID 23585480HCID 23585480, compound

Product 1

HCID 23585167HCID 23585167, compound

Sources & evidence

ORD record
ord-e717002042ec46a2a166e9ec0fe00804
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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