Ethylene Glycol → HCID 22060317, compound

HRID 1235466Notes

Reaction equation

HRID 1235466 reaction equation
[CH2:29]([CH2:30][CH2:31][CH2:32][CH2:33][CH3:34])[O:35][c:36]1[cH:37][cH:38][c:39]([NH2:40])[cH:41][cH:42]1.[CH:20]([N:21]([CH2:22][CH3:23])[CH:24]([CH3:25])[CH3:26])([CH3:27])[CH3:28].[Cl:1][c:2]1[n:3][cH:4][c:5]([F:19])[c:6]([NH:8][c:9]2[cH:10][c:11]3[c:12]([cH:13][cH:14]2)[O:15][CH2:16][CH2:17][O:18]3)[n:7]1.[OH:43][CH2:44][CH2:45][OH:46]>>[c:2]1([NH:40][c:39]2[cH:38][cH:37][c:36]([O:35][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH3:34])[cH:42][cH:41]2)[n:3][cH:4][c:5]([F:19])[c:6]([NH:8][c:9]2[cH:10][c:11]3[c:12]([cH:13][cH:14]2)[O:15][CH2:16][CH2:17][O:18]3)[n:7]1

Participants

5

Reactant 4

HCID 174Ethylene GlycolHCID 383604-HexyloxyanilineHCID 81531DiisopropylethylamineHCID 220603622-chloro-5-fluoro-N-(3,4-ethylenedioxyphenyl)-4-pyrimidineamine

Product 1

HCID 22060317HCID 22060317, compound

Sources & evidence

ORD record
ord-da67ff489f85405d807f7bb5cbeb6193
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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