Benzene → HCID 178482318, compound

HRID 200597Notes

Reaction equation

HRID 200597 reaction equation
[CH3:21][NH2:22].[Cl-:35].[Cl-:36].[Cl-:37].[Cl-:38].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:20]1)[C:7]([c:13]1[c:14]([F:19])[cH:15][cH:16][cH:17][cH:18]1)=[N:8][CH2:9][C:10](=[O:12])[NH:11]2.[O:24]1[CH2:25][CH2:26][CH2:27][CH2:28]1.[OH2:23].[Ti+4:39].[cH:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:20]1)[C:7]([c:13]1[c:14]([F:19])[cH:15][cH:16][cH:17][cH:18]1)=[N:8][CH2:9][C:10]([NH:22][CH3:21])=[N:11]2

Participants

8

Reactant 7

HCID 241BenzeneHCID 312Chloride4×HCID 962WaterHCID 4540NorfludiazepamHCID 6329MethylamineHCID 8028TetrahydrofuranHCID 114942Titanium cation (4+)

Product 1

HCID 178482318HCID 178482318, compound

Sources & evidence

ORD record
ord-c75aa55fc6b741e8a93c91a9e38c9342
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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