Chloride → HCID 135833322, compound

HRID 2347284Notes

Reaction equation

HRID 2347284 reaction equation
[C:41](=[O:42])([OH:43])[O-:44].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][c:10]2[c:11]([c:14]3[c:15]([n:16][c:17]([CH2:33][N:34]4[C:35](=[O:39])[CH2:36][CH2:37][CH2:38]4)[c:18]([Cl:32])[c:19]3-[c:20]3[cH:21][c:22]([O:30][CH3:31])[c:23]([O:26][CH:27]([CH3:28])[CH3:29])[cH:24][cH:25]3)[s:40]2)[CH2:12][CH2:13]1.[Cl-:49].[Cl-:50].[Cl-:51].[Cl-:52].[Cl:46][CH2:47][Cl:48].[Na+:45].[Ti+4:53]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][c:10]2[c:11]([c:14]3[c:15]([n:16][c:17]([CH2:33][N:34]4[C:35](=[O:39])[CH2:36][CH2:37][CH2:38]4)[c:18]([Cl:32])[c:19]3-[c:20]3[cH:21][c:22]([O:30][CH3:31])[c:23]([OH:26])[cH:24][cH:25]3)[s:40]2)[CH2:12][CH2:13]1

Participants

7

Reactant 6

HCID 312Chloride4×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 114942Titanium cation (4+)HCID 22452756HCID 22452756, compound

Product 1

HCID 135833322HCID 135833322, compound

Sources & evidence

ORD record
ord-8f93497e87be4333a1f8348f61525b99
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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