Chloride → HCID 68474742, compound

HRID 202430Notes

Reaction equation

HRID 202430 reaction equation
[C:26](=[O:27])([OH:28])[O-:29].[CH3:31][C:32]#[N:33].[CH3:34][CH2:35][O:36][C:37](=[O:38])[CH3:39].[Cl-:1].[NH2:2][c:3]1[cH:4][c:5]([C:21](=[O:22])[O:23][CH3:24])[c:6]2[c:11]([cH:12]1)[C:10](=[O:13])[N:9]([CH:14]([CH2:15][CH2:16][CH3:17])[CH2:18][CH2:19][CH3:20])[CH2:8][CH2:7]2.[Na+:30].[OH2:25]>>[Cl:1][c:3]1[cH:4][c:5]([C:21](=[O:22])[O:23][CH3:24])[c:6]2[c:11]([cH:12]1)[C:10](=[O:13])[N:9]([CH:14]([CH2:15][CH2:16][CH3:17])[CH2:18][CH2:19][CH3:20])[CH2:8][CH2:7]2

Participants

8

Reactant 7

HCID 312ChlorideHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 68472645HCID 68472645, compound

Product 1

HCID 68474742HCID 68474742, compound

Sources & evidence

ORD record
ord-20fb20e44b1e4b3a998b3de003a5be26
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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