Bicarbonate Ion → HCID 22721176, compound

HRID 2310886Notes

Reaction equation

HRID 2310886 reaction equation
[C:56](=[O:57])([OH:58])[O-:59].[CH2:42]1[CH2:43][NH:44][CH2:45][CH2:46][NH:47]1.[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[CH2:53]([Cl:54])[Cl:55].[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[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:32][CH2:33][CH3:34])[cH:26][cH:27][cH:28][c:29]3[O:30][CH3:31])[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+:60]>>[C:2](=[O:4])([N:15]1[C:14]([c:24]2[c:25]([O:32][CH2:33][CH3:34])[cH:26][cH:27][cH:28][c:29]2[O:30][CH3:31])=[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:44]1[CH2:43][CH2:42][NH:47][CH2:46][CH2:45]1

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 4837PiperazineHCID 6344DichloromethaneHCID 6371PhosgeneHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 22720977HCID 22720977, compound

Product 1

HCID 22721176HCID 22721176, compound

Sources & evidence

ORD record
ord-f7389a28f2a44647b0f0545e304f29ce
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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