Bicarbonate Ion → HCID 22721020, compound

HRID 151403Notes

Reaction equation

HRID 151403 reaction equation
[C:50](=[O:51])([OH:52])[O-:53].[CH2:44]1[CH2:45][NH:46][CH2:47][CH2:48][NH:49]1.[CH2:55]([Cl:56])[Cl:57].[CH3:5][CH2:6][N:7]([CH2:8][CH3:9])[CH2:10][CH3:11].[Cl:12][c:13]1[cH:14][cH:15][c:16]([CH:19]2[N:20]=[C:21]([c:31]3[c:32]([O:40][CH:41]([CH3:42])[CH3:43])[cH:33][c:34]([O:37][CH2:38][CH3:39])[cH:35][cH:36]3)[NH:22][CH:23]2[c:24]2[cH:25][cH:26][c:27]([Cl:30])[cH:28][cH:29]2)[cH:17][cH:18]1.[Cl:1][C:2]([Cl:3])=[O:4].[Na+:54]>>[C:2](=[O:4])([N:22]1[C:21]([c:31]2[c:32]([O:40][CH:41]([CH3:42])[CH3:43])[cH:33][c:34]([O:37][CH2:38][CH3:39])[cH:35][cH:36]2)=[N:20][CH:19]([c:16]2[cH:15][cH:14][c:13]([Cl:12])[cH:18][cH:17]2)[CH:23]1[c:24]1[cH:25][cH:26][c:27]([Cl:30])[cH:28][cH:29]1)[N:46]1[CH2:45][CH2:44][NH:49][CH2:48][CH2:47]1

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 4837PiperazineHCID 6344DichloromethaneHCID 6371PhosgeneHCID 8471TriethylamineHCID 10217285HCID 10217285, compound

Product 1

HCID 22721020HCID 22721020, compound

Sources & evidence

ORD record
ord-71ce2f1650474cf192df5f51fcac4285
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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