Bicarbonate Ion → HCID 18352016, compound

HRID 1151220Notes

Reaction equation

HRID 1151220 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH:9]=[O:10])[cH:11][cH:12]1.[C:41]([O:42][BH-:43]([O:44][C:45](=[O:46])[CH3:47])[O:48][C:49](=[O:50])[CH3:51])(=[O:52])[CH3:53].[C:55](=[O:56])([OH:57])[O-:58].[Cl:60][CH2:61][Cl:62].[NH2:13][CH:14]([C:15](=[O:16])[NH:17][CH2:18][CH2:19][N:20]1[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]1)[CH2:26][c:27]1[cH:28][cH:29][c:30]([O:33][CH2:34][c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[cH:31][cH:32]1.[Na+:54].[Na+:59]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH2:9][NH:13][CH:14]([C:15](=[O:16])[NH:17][CH2:18][CH2:19][N:20]2[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]2)[CH2:26][c:27]2[cH:28][cH:29][c:30]([O:33][CH2:34][c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[cH:31][cH:32]2)[cH:11][cH:12]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 6344DichloromethaneHCID 703244-tert-ButylbenzaldehydeHCID 2724942TriacetoxyborohydrideHCID 18352022HCID 18352022, compound

Product 1

HCID 18352016HCID 18352016, compound

Sources & evidence

ORD record
ord-38f837bdd9084a71812f1173dafcd573
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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