1,4-Dioxane → HCID 9912617, compound

HRID 1130662Notes

Reaction equation

HRID 1130662 reaction equation
[NH2:37][CH2:38][CH2:39][CH2:40][n:41]1[cH:42][n:43][cH:44][cH:45]1.[O:1]([CH2:2][CH2:3][CH2:4][O:5][c:12]1[n:13][c:14]([O:31][CH2:32][C:33]([F:34])([F:35])[F:36])[c:15]([C:29]#[N:30])[c:16]([N:18]2[CH2:19][CH2:20][c:21]3[c:22]([cH:25][cH:26][cH:27][cH:28]3)[CH2:23][CH2:24]2)[n:17]1)[c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1.[O:46]1[CH2:47][CH2:48][O:49][CH2:50][CH2:51]1>>[c:12]1([NH:37][CH2:38][CH2:39][CH2:40][n:41]2[cH:42][n:43][cH:44][cH:45]2)[n:13][c:14]([O:31][CH2:32][C:33]([F:34])([F:35])[F:36])[c:15]([C:29]#[N:30])[c:16]([N:18]2[CH2:19][CH2:20][c:21]3[c:22]([cH:25][cH:26][cH:27][cH:28]3)[CH2:23][CH2:24]2)[n:17]1

Participants

4

Reactant 3

HCID 312751,4-DioxaneHCID 787361H-Imidazole-1-propanamineHCID 220038782-(3-Phenoxypropoxy)-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-6-(2,2,2-trifluoroethoxy)pyrimidine-5-carbonitrile

Product 1

HCID 9912617HCID 9912617, compound

Sources & evidence

ORD record
ord-00ec3849f5554325939045678b8df02e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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