Chloride → HCID 18422197, compound

HRID 203628Notes

Reaction equation

HRID 203628 reaction equation
[CH3:1][N:2]([c:3]1[c:4]([N+:9]([O-:24])=[O:25])[cH:5][cH:6][cH:7][cH:8]1)[c:12]1[c:13]([C:21]([O:10][CH2:11][CH3:22])=[O:23])[c:14]2[c:15]([s:16]1)[cH:17][cH:18][cH:19][cH:20]2.[CH3:26][N:27]1[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]1.[CH3:38][O:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[Cl-:33].[Cl-:34].[Cl-:35].[Cl-:36].[Ti+4:37]>>[CH3:1][N:2]1[c:3]2[c:4]([cH:5][cH:6][cH:7][cH:8]2)[N:9]=[C:21]([N:30]2[CH2:29][CH2:28][N:27]([CH3:26])[CH2:32][CH2:31]2)[c:13]2[c:12]1[s:16][c:15]1[c:14]2[cH:20][cH:19][cH:18][cH:17]1

Participants

6

Reactant 5

HCID 312Chloride4×HCID 7519AnisoleHCID 531671-MethylpiperazineHCID 114942Titanium cation (4+)HCID 18422373HCID 18422373, compound

Product 1

HCID 18422197HCID 18422197, compound

Sources & evidence

ORD record
ord-47642d3c775945cd8b3f26996fa4519c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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