Acetate → HCID 18952643, compound

HRID 2326135Notes

Reaction equation

HRID 2326135 reaction equation
[C:10]([O-:11])(=[O:12])[CH3:13].[C:14]([O-:15])(=[O:16])[CH3:17].[C:18]([O-:19])(=[O:20])[CH3:21].[C:53](=[O:54])([OH:55])[O-:56].[C:6]([O-:7])(=[O:8])[CH3:9].[CH3:23][C:24]1([CH3:50])[CH2:25][O:26][C:27]2([CH2:28][CH2:29][CH2:30][C:31]3([CH2:32]2)[S:33][C:34]2([CH2:35][CH2:36][CH:37]([CH:40]4[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]4)[CH2:38][CH2:39]2)[NH:47][NH:46]3)[O:48][CH2:49]1.[CH3:58][CH2:59][CH2:60][CH2:61][CH2:62][CH3:63].[Ca+2:1].[NH2:51][NH2:52].[Na+:57].[O-:2][C:3](=[O:4])[O-:5].[Pb+4:22]>>[CH3:23][C:24]1([CH3:50])[CH2:25][O:26][C:27]2([CH2:28][CH2:29][CH2:30][C:31]3([CH2:32]2)[S:33][C:34]2([CH2:35][CH2:36][CH:37]([CH:40]4[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]4)[CH2:38][CH2:39]2)[N:51]=[N:52]3)[O:48][CH2:49]1

Participants

10

Reactant 9

HCID 175Acetate4×HCID 271Calcium CationHCID 769Bicarbonate IonHCID 923Sodium ionHCID 8058HexaneHCID 9321HydrazineHCID 19660Carbonate IonHCID 18952693HCID 18952693, compoundHCID 178527690HCID 178527690, compound

Product 1

HCID 18952643HCID 18952643, compound

Sources & evidence

ORD record
ord-e762dcadd67148dfadc086d299db87a0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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