Bicarbonate Ion → HCID 22466693, compound

HRID 1222024Notes

Reaction equation

HRID 1222024 reaction equation
[C:50](=[O:51])([OH:52])[O-:53].[CH2:55]1[O:56][CH2:57][CH2:58][CH2:59]1.[CH3:13][N:14]1[CH2:15][CH2:16][O:17][CH2:18][CH2:19]1.[Cl:20][C:21]([O:22][CH2:23][CH:24]([CH3:25])[CH3:26])=[O:27].[N:1]1([CH2:7][C:8]#[C:9][C:10](=[O:11])[OH:12])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[NH2:28][c:29]1[cH:30][c:31]2[c:32]([NH:41][c:42]3[cH:43][c:44]([O:48][CH3:49])[cH:45][cH:46][cH:47]3)[c:33]([C:39]#[N:40])[cH:34][n:35][c:36]2[cH:37][cH:38]1.[Na+:54].[OH2:66].[cH:60]1[cH:61][cH:62][n:63][cH:64][cH:65]1>>[N:1]1([CH2:7][C:8]#[C:9][C:10](=[O:12])[NH:28][c:29]2[cH:30][c:31]3[c:32]([NH:41][c:42]4[cH:43][c:44]([O:48][CH3:49])[cH:45][cH:46][cH:47]4)[c:33]([C:39]#[N:40])[cH:34][n:35][c:36]3[cH:37][cH:38]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

10

Reactant 9

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 1049PyridineHCID 79724-MethylmorpholineHCID 8028TetrahydrofuranHCID 62365Isobutyl chloroformateHCID 578964HCID 578964, compoundHCID 22466726HCID 22466726, compound

Product 1

HCID 22466693HCID 22466693, compound

Sources & evidence

ORD record
ord-9d26e208470f4690b6762b9b47c3b768
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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