Bicarbonate Ion → 9-Fluorenylmethyl carbamate

HRID 169275Notes

Reaction equation

HRID 169275 reaction equation
[CH3:53][C:54]#[N:55].[CH:1]([NH:4][CH2:2][c:3]1[s:5][cH:6][c:7]([CH2:8][N:9]2[CH2:10][CH2:11][N:12]([CH:13]([CH:14]([CH3:15])[CH2:16][CH3:17])[C:18]([O:19][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[C:25]2=[O:26])[n:27]1)([CH3:28])[CH3:29].[Cl:35][C:36](=[O:37])[O:38][CH2:39][CH:40]1[c:41]2[cH:42][cH:43][cH:44][cH:45][c:46]2-[c:47]2[cH:48][cH:49][cH:50][cH:51][c:52]21.[Na+:34].[O-:30][C:31]([OH:32])=[O:33].[OH2:56]>>[NH2:4][C:36](=[O:37])[O:38][CH2:39][CH:40]1[c:41]2[cH:42][cH:43][cH:44][cH:45][c:46]2-[c:47]2[cH:48][cH:49][cH:50][cH:51][c:52]21

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6342AcetonitrileHCID 343679-Fluorenylmethyl chloroformateHCID 178445484tert-butyl 3-methyl-2-[2-oxo-3-[[2-[(propan-2-ylamino)methyl]-1,3-thiazol-4-yl]methyl]imidazolidin-1-yl]pentanoate

Product 1

HCID 7363019-Fluorenylmethyl carbamate

Sources & evidence

ORD record
ord-d93b62500cae45fea46d42f37bd293a0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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