Bicarbonate Ion → HCID 22720998, compound

HRID 667480Notes

Reaction equation

HRID 667480 reaction equation
[C:51](=[O:52])([OH:53])[O-:54].[CH2:45]1[CH2:46][NH:47][CH2:48][CH2:49][NH:50]1.[CH2:56]1[O:57][CH2:58][CH2:59][CH2:60]1.[CH2:61]([Cl:62])[Cl:63].[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:39][CH:40]4[CH2:41][CH2:42][CH2:43][CH2:44]4)[cH:33][c:34]([O:37][CH3:38])[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+:55]>>[C:2](=[O:4])([N:22]1[C:21]([c:31]2[c:32]([O:39][CH:40]3[CH2:41][CH2:42][CH2:43][CH2:44]3)[cH:33][c:34]([O:37][CH3:38])[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:47]1[CH2:46][CH2:45][NH:50][CH2:49][CH2:48]1

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 4837PiperazineHCID 6344DichloromethaneHCID 6371PhosgeneHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 10152061HCID 10152061, compound

Product 1

HCID 22720998HCID 22720998, compound

Sources & evidence

ORD record
ord-43c39ecfcc064edb96642c7f2c9951dd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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