Chloride → HCID 86662309, compound

HRID 2344972Notes

Reaction equation

HRID 2344972 reaction equation
[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[CH3:19][O:20][c:21]1[cH:22][cH:23][c:24]([C:25](=[O:26])[c:27]2[cH:28][cH:29][c:30]([O:33][CH3:34])[cH:31][cH:32]2)[cH:35][cH:36]1.[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[Cl-:49].[Cl-:50].[Cl-:51].[Cl-:52].[Cl:54][CH2:55][Cl:56].[OH2:57].[Ti+4:53].[c:1]1(-[c:7]2[n:8][c:9]3[cH:10][c:11]([CH2:17][NH2:18])[cH:12][cH:13][c:14]3[cH:15][cH:16]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[n:8][c:9]3[cH:10][c:11]([CH2:17][N:18]=[C:25]([c:24]4[cH:23][cH:22][c:21]([O:20][CH3:19])[cH:36][cH:35]4)[c:27]4[cH:28][cH:29][c:30]([O:33][CH3:34])[cH:31][cH:32]4)[cH:12][cH:13][c:14]3[cH:15][cH:16]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

9

Reactant 8

HCID 312Chloride4×HCID 962WaterHCID 6344DichloromethaneHCID 70324,4'-DimethoxybenzophenoneHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 114942Titanium cation (4+)HCID 66740064HCID 66740064, compound

Product 1

HCID 86662309HCID 86662309, compound

Sources & evidence

ORD record
ord-5505def1945241b490b6c7def0ae3dde
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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