1,3-Propanediol → 4-t-butyl-N-[2-(4-formylpiperazinyl)-6-(3-hydroxypropyloxy)-5-(2-methoxyphenoxy)-4-pyrimidinyl]benzenesulfonamide

HRID 178648Notes

Reaction equation

HRID 178648 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[NH:14][c:15]2[n:16][c:17]([N:31]3[CH2:32][CH2:33][N:34]([CH:37]=[O:38])[CH2:35][CH2:36]3)[n:18][c:19]([Cl:30])[c:20]2[O:21][c:22]2[c:23]([O:28][CH3:29])[cH:24][cH:25][cH:26][cH:27]2)[cH:9][cH:10]1.[CH2:39]([CH2:40][CH2:41][OH:42])[OH:43]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[NH:14][c:15]2[n:16][c:17]([N:31]3[CH2:32][CH2:33][N:34]([CH:37]=[O:38])[CH2:35][CH2:36]3)[n:18][c:19]([O:42][CH2:41][CH2:40][CH2:39][OH:43])[c:20]2[O:21][c:22]2[c:23]([O:28][CH3:29])[cH:24][cH:25][cH:26][cH:27]2)[cH:9][cH:10]1

Participants

3

Reactant 2

HCID 104421,3-PropanediolHCID 86753877HCID 86753877, compound

Product 1

HCID 867538784-t-butyl-N-[2-(4-formylpiperazinyl)-6-(3-hydroxypropyloxy)-5-(2-methoxyphenoxy)-4-pyrimidinyl]benzenesulfonamide

Sources & evidence

ORD record
ord-d15ba924c37a4bcab2bdb5f0007c2193
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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