Bicarbonate Ion → HCID 178431568, compound

HRID 196360Notes

Reaction equation

HRID 196360 reaction equation
[C:42](=[O:43])([OH:44])[O-:45].[CH3:47][CH2:48][O:49][CH2:50][CH3:51].[Cl:1][C:2](=[O:3])[O:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1.[F:11][c:12]1[cH:13][cH:14][c:15]([S:18](=[O:19])(=[O:20])[CH2:21][c:22]2[n:23][c:24](-[c:35]3[cH:36][cH:37][c:38]([NH2:39])[cH:40][cH:41]3)[n:25][c:26]([N:28]3[CH:29]([CH3:34])[CH2:30][O:31][CH2:32][CH2:33]3)[cH:27]2)[cH:16][cH:17]1.[Na+:46].[O:52]1[CH2:53][CH2:54][O:55][CH2:56][CH2:57]1>>[C:2](=[O:3])([O:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[NH:39][c:38]1[cH:37][cH:36][c:35](-[c:24]2[n:23][c:22]([CH2:21][S:18]([c:15]3[cH:14][cH:13][c:12]([F:11])[cH:17][cH:16]3)(=[O:19])=[O:20])[cH:27][c:26]([N:28]3[CH:29]([CH3:34])[CH2:30][O:31][CH2:32][CH2:33]3)[n:25]2)[cH:41][cH:40]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 3283Diethyl EtherHCID 15891Phenyl chloroformateHCID 312751,4-DioxaneHCID 178431567HCID 178431567, compound

Product 1

HCID 178431568HCID 178431568, compound

Sources & evidence

ORD record
ord-bd367d0dc86f4d7ca32665e6dfb4191c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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