Bicarbonate Ion → HCID 178437342, compound

HRID 2317720Notes

Reaction equation

HRID 2317720 reaction equation
[C:40]12([CH2:41][S:42]([OH:43])(=[O:44])=[O:45])[C:46]([CH3:47])([CH3:48])[CH:49]([CH2:50][CH2:51]1)[CH2:52][C:53]2=[O:54].[C:59](=[O:60])([OH:61])[O-:62].[CH:55]([OH:56])([CH3:57])[CH3:58].[Cl:20][c:21]1[n:22][cH:23][c:24]([Cl:39])[c:25]([NH:27][CH:28]2[CH:29]([NH:34][S:35](=[O:36])(=[O:37])[CH3:38])[CH2:30][CH2:31][CH2:32][CH2:33]2)[n:26]1.[NH2:1][c:2]1[cH:3][c:4]2[c:5]([cH:16][c:17]1[O:18][CH3:19])[CH:6]([CH2:14][CH3:15])[C:7](=[O:13])[N:8]([CH2:11][CH3:12])[CH2:9][CH2:10]2.[Na+:63].[OH2:64]>>[NH:1]([c:2]1[cH:3][c:4]2[c:5]([cH:16][c:17]1[O:18][CH3:19])[CH:6]([CH2:14][CH3:15])[C:7](=[O:13])[N:8]([CH2:11][CH3:12])[CH2:9][CH2:10]2)[c:21]1[n:22][cH:23][c:24]([Cl:39])[c:25]([NH:27][CH:28]2[CH:29]([NH:34][S:35](=[O:36])(=[O:37])[CH3:38])[CH2:30][CH2:31][CH2:32][CH2:33]2)[n:26]1

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 3776IsopropanolHCID 18462Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S)-HCID 672644667-Amino-1,3-diethyl-8-methoxy-1,3,4,5-tetrahydro-3-benzazepin-2-oneHCID 86633859N-[2-(2,5-dichloro-pyrimidin-4-ylamino)-cyclohexyl]-methanesulfonamide

Product 1

HCID 178437342HCID 178437342, compound

Sources & evidence

ORD record
ord-e0ca5c349b61476681591cd9e60909f1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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