Bicarbonate Ion → HCID 67273649, compound

HRID 1575703Notes

Reaction equation

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

Participants

Reactant 4

HCID 769Bicarbonate Ion

HCID 923Sodium ion

HCID 81031-Hexanol

HCID 672733252-[4-[4-[3-(4-hydroxy-3,5-dimethylphenyl)-2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carbonyl]oxypropanoyl]piperazin-1-yl]piperidin-1-yl]acetic acid

Product 1

HCID 67273649HCID 67273649, compound

Sources & evidence

ORD record: ord-de4e719a4dee4dd481dbe29c73be51bd
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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