Water → 4-N-[5-chloro-4-[3-chloro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-1-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexane-1,4-diamine

HRID 1214043Notes

Reaction equation

HRID 1214043 reaction equation
[CH3:40][c:41]1[cH:42][cH:43][c:44]([S:45]([O:46][CH2:51][CH:52]2[O:53][C:54]([CH3:57])([CH3:58])[O:55][CH2:56]2)(=[O:47])=[O:48])[cH:49][cH:50]1.[CH:31]([N:32]([CH2:33][CH3:34])[CH:35]([CH3:36])[CH3:37])([CH3:38])[CH3:39].[NH2:1][CH:2]1[CH2:3][CH2:4][CH:5]([NH:8][c:9]2[n:10][cH:11][c:12]([Cl:30])[c:13](-[c:15]3[n:16][c:17]([NH:22][CH2:23][CH:24]4[CH2:25][CH2:26][O:27][CH2:28][CH2:29]4)[cH:18][cH:19][c:20]3[Cl:21])[cH:14]2)[CH2:6][CH2:7]1.[O:59]=[CH:60][N:61]([CH3:62])[CH3:63].[OH2:64]>>[NH:1]([CH:2]1[CH2:3][CH2:4][CH:5]([NH:8][c:9]2[n:10][cH:11][c:12]([Cl:30])[c:13](-[c:15]3[n:16][c:17]([NH:22][CH2:23][CH:24]4[CH2:25][CH2:26][O:27][CH2:28][CH2:29]4)[cH:18][cH:19][c:20]3[Cl:21])[cH:14]2)[CH2:6][CH2:7]1)[CH2:51][CH:52]1[O:53][C:54]([CH3:57])([CH3:58])[O:55][CH2:56]1

Participants

6

Reactant 5

HCID 962WaterHCID 6228DimethylformamideHCID 81531DiisopropylethylamineHCID 2350972,2-Dimethyl-1,3-dioxolan-4-ylmethyl p-toluenesulfonateHCID 50908323HCID 50908323, compound

Product 1

HCID 755791994-N-[5-chloro-4-[3-chloro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-1-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexane-1,4-diamine

Sources & evidence

ORD record
ord-d6245d907cf040128a19721f0deb15bd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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