Bicarbonate Ion → HCID 178432976, compound

HRID 2329906Notes

Reaction equation

HRID 2329906 reaction equation
[C:54](=[O:55])([OH:56])[O-:57].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH:9]([CH:10]([CH2:11][c:12]1[cH:13][c:14]([F:19])[cH:15][c:16]([F:18])[cH:17]1)[N:20]([CH2:21][c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[CH2:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)[CH:35]1[NH:36][CH:37]([CH3:42])[CH:38]([OH:41])[O:39][CH2:40]1.[CH2:43]([C:44]([CH3:45])([CH3:46])[CH3:47])[OH:48].[CH3:49][S:50](=[O:51])(=[O:52])[OH:53].[Cl:59][CH2:60][Cl:61].[Na+:58]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH:9]([CH:10]([CH2:11][c:12]1[cH:13][c:14]([F:19])[cH:15][c:16]([F:18])[cH:17]1)[N:20]([CH2:21][c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[CH2:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)[CH:35]1[NH:36][CH:37]([CH3:42])[CH:38]([O:41][CH2:43][C:44]([CH3:45])([CH3:46])[CH3:47])[O:39][CH2:40]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 6395Methanesulfonic AcidHCID 6404Neopentyl alcoholHCID 178432975HCID 178432975, compound

Product 1

HCID 178432976HCID 178432976, compound

Sources & evidence

ORD record
ord-b2d93bb5d4d3455e9cd128eb7bfc5532
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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