Bicarbonate Ion → HCID 178497637, compound

HRID 191749Notes

Reaction equation

HRID 191749 reaction equation
[C:1](=[O:2])([OH:3])[O-:4].[CH2:6]([c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[O:13][C:14](=[O:15])[Cl:16].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[NH2:17][CH:18]([CH2:19][N:20]1[CH2:21][C:22](=[O:38])[N:23]([c:28]2[c:29]([O:34][CH2:35][O:36][CH3:37])[cH:30][cH:31][cH:32][cH:33]2)[CH2:24][C:25]1([CH3:26])[CH3:27])[CH:39]1[O:40][C:41](=[O:47])[CH:42]([CH:44]([CH3:45])[CH3:46])[CH2:43]1.[Na+:5].[OH2:54]>>[CH2:6]([c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[O:13][C:14](=[O:15])[NH:17][CH:18]([CH2:19][N:20]1[CH2:21][C:22](=[O:38])[N:23]([c:28]2[c:29]([O:34][CH2:35][O:36][CH3:37])[cH:30][cH:31][cH:32][cH:33]2)[CH2:24][C:25]1([CH3:26])[CH3:27])[CH:39]1[O:40][C:41](=[O:47])[CH:42]([CH:44]([CH3:45])[CH3:46])[CH2:43]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 8857Ethyl AcetateHCID 10387Benzyl chloroformateHCID 178497636HCID 178497636, compound

Product 1

HCID 178497637HCID 178497637, compound

Sources & evidence

ORD record
ord-2e452393b5644d9eb83c18f43b4ddae2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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