Bicarbonate Ion → HCID 10008863, compound

HRID 2346632Notes

Reaction equation

HRID 2346632 reaction equation
[C:43]([CH3:44])(=[O:45])[N:46]1[CH2:47][CH2:48][NH:49][CH2:50][CH2:51]1.[C:52](=[O:53])([OH:54])[O-:55].[CH2:57]([Cl:58])[Cl:59].[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:60][CH2:61][O:62][C:63](=[O:64])[CH3:65].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[N:9]=[C:10]([c:20]3[c:21]([O:28][CH:29]([CH3:30])[CH3:31])[cH:22][c:23]([O:26][CH3:27])[cH:24][cH:25]3)[NH:11][CH:12]2[c:13]2[cH:14][cH:15][c:16]([Cl:19])[cH:17][cH:18]2)[cH:6][cH:7]1.[Cl:39][C:40]([Cl:41])=[O:42].[Na+:56]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[N:9]=[C:10]([c:20]3[c:21]([O:28][CH:29]([CH3:30])[CH3:31])[cH:22][c:23]([O:26][CH3:27])[cH:24][cH:25]3)[N:11]([C:40](=[O:42])[N:49]3[CH2:48][CH2:47][N:46]([C:43]([CH3:44])=[O:45])[CH2:51][CH2:50]3)[CH:12]2[c:13]2[cH:14][cH:15][c:16]([Cl:19])[cH:17][cH:18]2)[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 6371PhosgeneHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 837951-AcetylpiperazineHCID 10173806HCID 10173806, compound

Product 1

HCID 10008863HCID 10008863, compound

Sources & evidence

ORD record
ord-68dbf3d85fcc4c24affdc9c25320691a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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