Water → 2-(1,8,8-Trimethyl-3-azabicyclo[3.2.1]octyl)-4,6-bis(1,1,2,2-tetramethylpropylamino)-s-triazine

HRID 177592

Reaction equation

HRID 177592 reaction equation
[CH3:24][C:25]12[CH2:26][NH:27][CH2:28][CH:29]([CH2:30][CH2:31]1)[C:32]2([CH3:33])[CH3:34].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[CH:35]([N:36]([CH2:37][CH3:38])[CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[Cl:1][c:2]1[n:3][c:4]([NH:16][C:17]([C:18]([CH3:19])([CH3:20])[CH3:21])([CH3:22])[CH3:23])[n:5][c:6]([NH:8][C:9]([C:10]([CH3:11])([CH3:12])[CH3:13])([CH3:14])[CH3:15])[n:7]1.[Cl:59][CH2:60][Cl:61].[OH2:58].[c:44]1([CH3:45])[c:46]([CH3:47])[cH:48][cH:49][cH:50][cH:51]1>>[c:2]1([CH:26]2[C:25]3([CH3:24])[CH2:31][CH2:30][CH:29]([CH2:28][NH:27]2)[C:32]3([CH3:33])[CH3:34])[n:3][c:4]([NH:16][C:17]([C:18]([CH3:19])([CH3:20])[CH3:21])([CH3:22])[CH3:23])[n:5][c:6]([NH:8][C:9]([C:10]([CH3:11])([CH3:12])[CH3:13])([CH3:14])[CH3:15])[n:7]1

Participants

8

Reactant 7

HCID 962WaterHCID 6344DichloromethaneHCID 7237O-XyleneHCID 8857Ethyl AcetateHCID 81531DiisopropylethylamineHCID 5365563-Azabicyclo[3.2.1]octane, 1,8,8-trimethyl-, (+)-HCID 155725772-Chloro-4,6-di(2,3,3-trimethyl-2-butyl)amino-s-triazine

Product 1

HCID 705625672-(1,8,8-Trimethyl-3-azabicyclo[3.2.1]octyl)-4,6-bis(1,1,2,2-tetramethylpropylamino)-s-triazine

Sources & evidence

ORD record
ord-b4906122df214b199e57c7907edea744
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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