Chloride → HCID 11663517, compound

HRID 2135650Notes

Reaction equation

HRID 2135650 reaction equation
[Al+3:39].[CH3:26][O:27][c:28]1[cH:29][c:30]([O:31][CH3:32])[cH:33][c:34]([O:35][CH3:36])[cH:37]1.[Cl-:38].[Cl-:40].[Cl-:41].[Cl:1][c:2]1[n:3][c:4]([NH:18][CH:19]2[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]2)[n:5][c:6]([NH:8][c:9]2[cH:10][c:11]([Cl:17])[c:12]([O:15][CH3:16])[cH:13][cH:14]2)[n:7]1.[Cl:43][CH:44]([Cl:45])[CH3:46].[OH2:42]>>[c:2]1(-[c:29]2[c:28]([O:27][CH3:26])[cH:37][c:34]([O:35][CH3:36])[cH:33][c:30]2[O:31][CH3:32])[n:3][c:4]([NH:18][CH:19]2[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]2)[n:5][c:6]([NH:8][c:9]2[cH:10][c:11]([Cl:17])[c:12]([O:15][CH3:16])[cH:13][cH:14]2)[n:7]1

Participants

7

Reactant 6

HCID 312Chloride3×HCID 962WaterHCID 63651,1-DichloroethaneHCID 693011,3,5-TrimethoxybenzeneHCID 104727Aluminum CationHCID 218970216-chloro-N-(3-chloro-4-methoxyphenyl)-N'-cycloheptyl-[1,3,5]triazine-2,4-diamine

Product 1

HCID 11663517HCID 11663517, compound

Sources & evidence

ORD record
ord-1bc896dd6e2348fba6e8ff5712b632ee
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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