Bicarbonate Ion → HCID 22721070, compound

HRID 1142308Notes

Reaction equation

HRID 1142308 reaction equation
[C:57](=[O:58])([OH:59])[O-:60].[CH2:43]1[CH2:44][NH:45][CH2:46][CH2:47][NH:48]1.[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]1.[CH2:54]([Cl:55])[Cl:56].[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[Cl:1][C:2]([Cl:3])=[O:4].[Cl:5][c:6]1[cH:7][cH:8][c:9]([CH:12]2[N:13]=[C:14]([c:24]3[c:25]([O:33][CH2:34][CH3:35])[cH:26][c:27]([N:30]([CH3:31])[CH3:32])[cH:28][cH:29]3)[NH:15][CH:16]2[c:17]2[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]2)[cH:10][cH:11]1.[Na+:61]>>[C:2](=[O:4])([N:15]1[C:14]([c:24]2[c:25]([O:33][CH2:34][CH3:35])[cH:26][c:27]([N:30]([CH3:31])[CH3:32])[cH:28][cH:29]2)=[N:13][CH:12]([c:9]2[cH:8][cH:7][c:6]([Cl:5])[cH:11][cH:10]2)[CH:16]1[c:17]1[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]1)[N:45]1[CH2:44][CH2:43][NH:48][CH2:47][CH2:46]1

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 4837PiperazineHCID 6344DichloromethaneHCID 6371PhosgeneHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 10151602HCID 10151602, compound

Product 1

HCID 22721070HCID 22721070, compound

Sources & evidence

ORD record
ord-b2110c71a25a4bb0a77436e925dd87ee
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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