Chloride → HCID 9869449, compound

HRID 1130962Notes

Reaction equation

HRID 1130962 reaction equation
[C:36](=[O:37])([OH:38])[O-:39].[CH2:20]([c:21]1[cH:22][c:23]2[c:27]([cH:28][cH:29]1)[O:26][CH2:25][O:24]2)[N:30]1[CH2:31][CH2:32][NH:33][CH2:34][CH2:35]1.[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[Cl-:48].[Cl-:49].[Cl-:50].[Cl-:51].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]2[c:7]([cH:18][cH:19]1)[S:8][c:9]1[c:10]([cH:14][cH:15][cH:16][cH:17]1)[C:11](=[O:13])[CH2:12]2.[Na+:40].[Ti+4:52]>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]2[c:7]([cH:18][cH:19]1)[S:8][c:9]1[c:10]([cH:14][cH:15][cH:16][cH:17]1)[C:11]([N:33]1[CH2:32][CH2:31][N:30]([CH2:20][c:21]3[cH:22][c:23]4[c:27]([cH:28][cH:29]3)[O:26][CH2:25][O:24]4)[CH2:35][CH2:34]1)=[CH:12]2

Participants

8

Reactant 7

HCID 312Chloride4×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 1140TolueneHCID 944261-PiperonylpiperazineHCID 114942Titanium cation (4+)HCID 12362917HCID 12362917, compound

Product 1

HCID 9869449HCID 9869449, compound

Sources & evidence

ORD record
ord-f46aeab7ab4c46f486267152d3027aa2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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