Sodium ion → HCID 45487094, compound

HRID 699340Notes

Reaction equation

[CH2:33]1[O:34][CH2:35][CH2:36][CH2:37]1.[CH2:38]([Cl:39])[Cl:40].[CH3:3][O:4][C:5](=[O:6])[n:7]1[n:8][cH:9][c:10]2[c:17]1[CH2:16][CH:15]1[CH2:14][N:13]([C:29](=[O:30])[O:31][CH3:32])[CH2:12][CH:11]2[N:18]1[S:19](=[O:20])(=[O:21])[c:22]1[cH:23][cH:24][c:25]([Cl:28])[cH:26][cH:27]1.[Na+:2].[OH-:1].[OH2:41]>>[nH:7]1[n:8][cH:9][c:10]2[c:17]1[CH2:16][CH:15]1[CH2:14][N:13]([C:29](=[O:30])[O:31][CH3:32])[CH2:12][CH:11]2[N:18]1[S:19](=[O:20])(=[O:21])[c:22]1[cH:23][cH:24][c:25]([Cl:28])[cH:26][cH:27]1

Participants

Reactant 6

HCID 923Sodium ion

HCID 961Hydroxide

HCID 962Water

HCID 6344Dichloromethane

HCID 8028Tetrahydrofuran

HCID 5967948412-(4-Chloro-benzenesulfonyl)-4,5,10,12-tetraaza-tricyclo[6.3.1.02,6]dodeca-2(6),3-diene-5,10-dicarboxylic acid dimethyl ester

Product 1

HCID 45487094HCID 45487094, compound

Sources & evidence

ORD record: ord-ea674c70bb8940fabc75573537cef85c
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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